data_2kjb_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 2kjb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.337 . . . . 3.55 110.576 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.415 ' HG1' ' H ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -80.84 -46.36 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 2.65 110.638 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.473 HD22 ' CG2' ' B' ' 29' ' ' ILE . 2.9 mt -67.68 -48.75 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 2.5 110.624 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -39.45 -33.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 2.63 110.598 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 15' ' ' ARG . 2.0 mmm-85 -64.96 -63.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 5.0 110.617 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -49.06 -24.81 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 2.31 110.586 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.597 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -74.53 -34.54 63.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 2.01 110.596 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.62 -39.73 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 2.65 110.595 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.633 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 22.6 mt -57.75 -66.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 2.02 110.571 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -53.21 -38.93 63.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.2 110.634 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 17' ' ' THR . 17.1 tttm -62.32 -35.92 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 3.44 110.619 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.638 ' HB1' HG13 ' A' ' 66' ' ' VAL . . . -49.3 -45.14 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.66 110.606 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.7 mt -49.75 158.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 2.4 110.582 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.99 -100.05 0.17 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.877 -0.889 . . . . 1.85 110.877 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 78.9 m-20 -80.91 153.24 27.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.318 . . . . 2.9 110.622 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.756 ' HD2' ' CG2' ' B' ' 17' ' ' THR . 0.5 OUTLIER -68.04 -51.31 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 4.67 110.602 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' TYR . 84.1 m-20 -37.65 -21.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 3.12 110.619 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.989 ' NE ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.44 -63.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 5.63 110.62 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.428 HG21 HD12 ' B' ' 13' ' ' LEU . 3.4 mt -44.66 -48.02 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 2.06 110.604 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -49.13 -66.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 3.95 110.605 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.66 HD11 ' OE1' ' A' ' 59' ' ' GLN . 11.7 mt -47.55 -46.32 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 2.31 110.592 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' A' ' 36' ' ' SER . 0.1 OUTLIER -53.69 -40.19 65.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 2.69 110.585 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.21 -56.31 23.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 2.62 110.583 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 34' ' ' LEU . 11.7 tp -64.39 -30.89 71.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 2.23 110.543 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.518 ' HA ' HD22 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -76.53 -16.92 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 2.35 110.606 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.467 ' C ' HG22 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -93.94 15.32 17.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 2.38 110.63 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.467 HG22 ' C ' ' A' ' 36' ' ' SER . 23.4 t -135.26 -67.44 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 3.15 110.606 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.55 152.68 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 3.31 110.578 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.5 127.91 55.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 2.97 110.607 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.64 -175.17 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 1.42 110.617 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.589 ' OG ' ' N ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -70.19 -177.92 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 1.95 110.604 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.589 ' N ' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -75.76 -44.2 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 2.34 110.632 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.78 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -74.23 -72.97 0.96 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.892 -0.883 . . . . 0.91 110.892 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.604 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER -21.77 -54.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 3.62 110.603 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.79 ' O ' ' HB2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -57.42 -42.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 2.21 110.616 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.78 ' N ' ' O ' ' A' ' 43' ' ' GLY . 1.8 t -71.02 -44.59 65.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 2.24 110.629 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -62.69 -71.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 4.09 110.622 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.458 ' C ' ' H ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -50.12 -43.64 51.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 2.93 110.555 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.79 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -78.52 32.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 2.66 110.582 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.551 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.2 m-20 26.13 77.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 3.1 110.592 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.555 ' O ' ' OG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -154.1 141.28 19.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 2.25 110.618 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 54' ' ' SER . 68.1 m -73.68 104.8 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 2.1 110.631 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 1.059 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 4.7 pt20 -44.35 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 3.35 110.589 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -54.34 -38.41 66.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 2.49 110.62 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 59' ' ' GLN . 31.9 m-20 -80.88 -47.13 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 3.03 110.561 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 1.059 ' CG2' ' HA ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -39.1 -81.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 2.11 110.625 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' VAL . 0.6 OUTLIER -36.04 -36.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.9 110.627 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 56' ' ' VAL . 3.0 t-80 -77.41 -32.91 55.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 4.11 110.593 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.669 ' N ' ' O ' ' A' ' 56' ' ' VAL . 5.7 tt0 -64.78 -75.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 2.67 110.63 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.752 HD12 ' CE2' ' A' ' 80' ' ' TYR . 5.3 mt -34.41 -47.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 1.42 110.618 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 60' ' ' LEU . 21.2 tttm -36.21 -62.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 2.9 110.578 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.555 ' O ' ' C ' ' A' ' 63' ' ' LEU . 55.9 tp -52.7 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 2.08 110.615 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.989 HD11 ' NE ' ' A' ' 28' ' ' ARG . 10.6 mp -26.87 -60.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 2.34 110.632 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.988 ' HE3' ' HB1' ' A' ' 71' ' ' ALA . 23.9 tttt -41.41 -57.63 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 2.98 110.615 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . 13.4 t -59.13 -22.66 61.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 1.91 110.614 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.91 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 3.2 t -79.81 -19.92 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.9 110.582 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.91 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER 88.45 3.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 4.16 110.603 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.58 -50.48 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 2.32 110.639 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.615 HG13 HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -108.3 160.83 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 2.02 110.591 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.66 ' HE2' ' CG ' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -129.94 118.29 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 3.41 110.59 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.988 ' HB1' ' HE3' ' A' ' 64' ' ' LYS . . . -76.78 160.5 29.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 1.76 110.607 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -141.15 133.23 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 3.69 110.605 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.455 ' HD3' HH11 ' A' ' 73' ' ' ARG . 2.1 mtp180 -109.9 132.93 53.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 5.21 110.592 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -164.43 98.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 3.76 110.625 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.39 -80.52 0.53 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.893 -0.883 . . . . 3.14 110.893 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.438 ' HB3' ' H ' ' A' ' 77' ' ' SER . 1.2 tt0 -140.23 -93.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 5.62 110.639 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.438 ' H ' ' HB3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -54.62 157.14 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 2.97 110.606 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.7 120.24 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 3.14 110.628 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.6 mt -94.71 117.45 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 1.86 110.571 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.752 ' CE2' HD12 ' A' ' 60' ' ' LEU . 2.4 m-85 -74.01 164.39 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 3.38 110.629 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.62 142.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 2.02 110.566 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.615 HD23 HG13 ' A' ' 69' ' ' VAL . 24.0 mt -71.38 168.63 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 2.58 110.65 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.66 ' CG ' ' HE2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -129.6 -35.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 2.6 110.568 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.718 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -95.44 89.62 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 2.23 110.597 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.433 HG21 HD11 ' A' ' 85' ' ' ILE . 6.5 pt -52.92 -13.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 3.07 110.6 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.06 -59.62 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 4.18 110.623 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.1 t -49.8 -45.49 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 2.2 110.549 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.13 -49.19 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 1.43 110.619 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -42.36 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 2.36 110.551 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -50.43 64.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 3.31 110.59 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -47.64 82.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 2.33 110.622 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 1.7 tttt -52.85 -39.55 62.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 3.51 110.612 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.92 -43.06 89.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 3.23 110.592 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.78 -48.66 79.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 1.56 110.577 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.529 HG21 HD11 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -73.19 -29.52 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 2.32 110.623 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.563 ' HB2' ' O ' ' A' ' 92' ' ' LYS . 0.7 OUTLIER -71.02 -28.13 64.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 3.6 110.605 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 3.89 110.58 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.755 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.779 0.323 . . . . 2.75 110.59 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' B' ' 15' ' ' ARG . 0.6 OUTLIER -59.42 -67.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 2.77 110.605 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.428 HD12 HG21 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -55.38 -48.2 74.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 2.19 110.635 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -45.04 -37.66 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 2.58 110.642 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.1 mtm-85 -61.8 -60.62 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 4.41 110.578 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.417 ' H ' HG23 ' B' ' 16' ' ' VAL . 0.2 OUTLIER -50.17 -15.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 2.2 110.626 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.756 ' CG2' ' HD2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -85.5 -21.31 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 2.14 110.618 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.59 -42.02 44.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 2.48 110.607 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.23 -63.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 2.3 110.57 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -55.92 -39.29 71.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.1 110.602 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.556 ' HB2' ' O ' ' B' ' 17' ' ' THR . 23.6 tttm -59.89 -39.59 85.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 3.79 110.613 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.426 ' HB3' HG11 ' B' ' 66' ' ' VAL . . . -51.26 -41.52 60.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.55 110.613 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.623 ' HA ' ' NH1' ' B' ' 28' ' ' ARG . 13.8 mt -53.9 150.68 7.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 2.33 110.608 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.26 -104.2 0.27 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.911 -0.876 . . . . 1.92 110.911 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.714 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 0.1 OUTLIER -74.09 144.56 44.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 2.75 110.57 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 1.122 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER -66.01 -50.19 65.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 4.27 110.639 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' B' ' 30' ' ' ARG . 6.7 m-20 -38.78 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 3.48 110.613 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.623 ' NH1' ' HA ' ' B' ' 23' ' ' LEU . 22.2 ttm180 -50.47 -50.88 51.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 5.69 110.595 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.473 ' CG2' HD22 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -51.5 -40.68 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 2.13 110.628 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 0.5 OUTLIER -51.37 -60.9 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 3.63 110.59 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.458 HD13 HE21 ' B' ' 59' ' ' GLN . 0.8 OUTLIER -52.53 -44.88 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 2.31 110.577 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.18 -44.67 68.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 2.86 110.597 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.94 -55.39 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 2.33 110.607 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' B' ' 38' ' ' SER . 16.7 tp -60.06 -34.83 73.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 2.31 110.605 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' B' ' 35' ' ' LEU . 0.1 OUTLIER -67.03 -38.58 86.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 2.32 110.638 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -31.05 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 2.24 110.618 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.788 ' O ' ' CG1' ' B' ' 37' ' ' VAL . 1.9 p -146.52 95.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 2.73 110.637 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.882 ' HG ' ' H ' ' B' ' 39' ' ' GLU . 5.9 t 144.84 178.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 2.94 110.581 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.882 ' H ' ' HG ' ' B' ' 38' ' ' SER . 9.6 pt-20 -170.63 119.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 2.51 110.6 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.04 -172.31 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 1.39 110.562 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.539 ' OG ' ' N ' ' B' ' 42' ' ' VAL . 5.6 t -73.94 -178.51 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 1.88 110.569 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.539 ' N ' ' OG ' ' B' ' 41' ' ' SER . 3.6 t -75.82 -47.88 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 2.33 110.619 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.601 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -75.7 -58.91 3.65 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.866 -0.893 . . . . 0.91 110.866 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.505 ' C ' ' O ' ' B' ' 43' ' ' GLY . 0.3 OUTLIER -31.82 -61.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 3.63 110.586 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.493 HG22 ' O ' ' B' ' 42' ' ' VAL . 17.0 tt -46.97 -40.79 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 2.33 110.608 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.601 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 0.0 OUTLIER -68.94 -69.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 1.81 110.579 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' B' ' 46' ' ' SER . 0.0 OUTLIER -35.73 -66.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 3.99 110.587 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.786 ' C ' ' H ' ' B' ' 50' ' ' ASN . 6.8 mt-30 -45.34 -68.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 3.19 110.585 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.499 ' O ' ' HG ' ' B' ' 51' ' ' LEU . 75.1 mt -56.81 18.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 2.59 110.559 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.786 ' H ' ' C ' ' B' ' 48' ' ' GLN . 58.1 m-20 42.84 62.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 2.7 110.636 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' B' ' 49' ' ' LEU . 72.0 mt -128.28 146.93 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 2.05 110.627 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.503 ' OG ' ' HB2' ' B' ' 54' ' ' SER . 3.5 t -81.48 109.33 15.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.78 110.566 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' B' ' 53' ' ' GLN . 5.6 mt-30 -46.08 -20.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 2.89 110.607 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.503 ' HB2' ' OG ' ' B' ' 52' ' ' SER . 0.2 OUTLIER -56.93 -39.69 74.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 2.4 110.622 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.535 ' O ' ' C ' ' B' ' 56' ' ' VAL . 53.1 m-20 -86.5 -56.32 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 2.72 110.602 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.884 HG11 ' N ' ' B' ' 57' ' ' SER . 1.0 OUTLIER -28.49 -78.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 2.24 110.616 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.884 ' N ' HG11 ' B' ' 56' ' ' VAL . 0.2 OUTLIER -33.5 -47.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 2.3 110.621 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.575 ' O ' ' HB2' ' B' ' 61' ' ' LYS . 0.1 OUTLIER -61.74 -50.39 72.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 3.9 110.56 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.612 ' O ' ' C ' ' B' ' 60' ' ' LEU . 1.0 OUTLIER -48.07 -84.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 2.82 110.647 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.754 HD12 ' CZ ' ' B' ' 80' ' ' TYR . 9.9 mt -20.47 -55.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 1.47 110.62 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' B' ' 58' ' ' HIS . 3.2 mttm -35.37 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 3.47 110.573 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.685 ' O ' ' N ' ' B' ' 65' ' ' SER . 1.2 tp -35.32 -84.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 2.08 110.611 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.786 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . 6.6 mp -27.87 -58.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 2.32 110.634 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -49.94 -40.03 42.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 2.91 110.583 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.685 ' N ' ' O ' ' B' ' 62' ' ' LEU . 0.0 OUTLIER -77.13 -7.42 55.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 2.14 110.591 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.735 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 3.1 t -95.55 -12.08 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 1.92 110.652 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.735 ' HB2' ' O ' ' B' ' 66' ' ' VAL . 0.0 OUTLIER 84.79 6.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 4.07 110.623 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 88.8 mt -76.57 -53.77 7.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 2.07 110.607 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.786 ' CG2' ' HB3' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -101.45 163.82 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 2.09 110.596 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -136.25 135.76 39.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 3.16 110.63 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -101.54 157.82 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 1.68 110.611 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -142.91 132.48 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 3.86 110.584 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -95.29 142.26 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 5.33 110.616 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -156.57 91.29 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 4.7 110.581 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.95 -68.99 2.46 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.883 -0.887 . . . . 3.22 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -149.67 -82.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.329 . . . . 5.69 110.636 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.44 152.8 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 2.85 110.592 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.65 129.48 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 3.57 110.581 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.403 HG22 HD13 ' B' ' 79' ' ' ILE . 8.5 mt -109.45 117.78 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 2.09 110.649 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.754 ' CZ ' HD12 ' B' ' 60' ' ' LEU . 2.0 m-85 -70.67 -174.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 4.11 110.604 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' B' ' 80' ' ' TYR . 0.6 OUTLIER 153.39 144.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 1.87 110.549 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.944 HD23 ' N ' ' B' ' 82' ' ' LEU . 1.0 OUTLIER -78.14 155.97 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 2.76 110.608 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.23 -14.98 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 2.66 110.584 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -112.32 90.33 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 3.05 110.641 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.486 HG23 HD13 ' B' ' 85' ' ' ILE . 4.3 pt -54.46 -18.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 3.31 110.621 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -49.45 -59.71 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 4.16 110.599 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 94.2 t -55.92 -40.05 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 2.16 110.578 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.24 -53.11 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.6 110.543 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 28.5 p -68.52 -41.01 80.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 2.36 110.611 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 6.9 ttt -54.16 -44.39 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 3.18 110.543 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.58 -42.66 98.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 2.43 110.55 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -60.35 -42.67 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 3.5 110.6 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -61.17 -39.31 89.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 3.19 110.636 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.29 88.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.65 110.597 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.473 ' O ' HG22 ' B' ' 95' ' ' ILE . 78.9 mt -76.71 -33.04 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 2.37 110.564 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -62.3 -31.57 72.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 3.61 110.613 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 4.48 110.586 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.761 0.315 . . . . 1.0 110.412 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 13' ' ' LEU . 11.3 t -73.65 -43.57 59.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.2 OUTLIER -48.71 -51.05 30.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -47.87 -43.06 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.507 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -56.39 -41.61 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.441 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 t -65.63 -23.47 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.377 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.0 m -84.2 -14.32 50.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.203 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -77.85 -39.66 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.59 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 pt -63.8 -38.14 81.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.534 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -74.57 -42.26 59.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.21 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.514 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 2.5 ttmp? -62.35 -33.99 75.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.664 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -44.19 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.6 mt -45.67 145.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.73 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.97 160.97 34.71 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 59.51 165.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 1.0 110.73 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.523 ' C ' ' H ' ' A' ' 28' ' ' ARG . 19.4 m-85 -100.3 -47.14 5.04 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.284 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.536 HD21 ' N ' ' A' ' 27' ' ' ASN . 1.5 m120 -62.83 3.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.626 -0.715 . . . . 1.0 111.29 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.523 ' H ' ' C ' ' A' ' 26' ' ' TYR . 62.9 ttt-85 -70.67 -18.54 62.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.795 0.331 . . . . 1.0 110.536 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.4 mt -83.15 -67.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.033 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -52.1 -46.19 65.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.36 -177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 32' ' ' MET . 7.3 tt -52.53 -45.18 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.748 -0.381 . . . . 1.0 110.518 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.44 ' N ' ' CG2' ' A' ' 31' ' ' ILE . 20.6 mmt -63.13 -33.93 76.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.513 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -51.34 -68.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.813 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.6 tp -60.18 -35.13 74.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.992 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -35.7 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.093 0.473 . . . . 1.0 109.769 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.6 t -55.58 -18.6 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.625 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.99 71.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.143 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 t -173.44 162.58 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 1.0 110.983 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 18.0 mp0 -143.84 114.3 7.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.737 -0.665 . . . . 1.0 109.682 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.6 -177.52 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 1.0 110.886 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.546 ' HG ' ' H ' ' A' ' 42' ' ' VAL . 18.0 t -75.38 -179.28 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.454 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.546 ' H ' ' HG ' ' A' ' 41' ' ' SER . 35.0 m -83.68 -35.13 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.767 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.3 -40.11 8.07 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.107 -0.797 . . . . 1.0 111.107 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -49.9 -46.9 52.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.653 0.263 . . . . 1.0 111.089 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.6 pt -69.08 -25.78 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.98 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.6 t -67.78 -76.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.328 . . . . 1.0 110.919 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -49.23 -47.2 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.172 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -49.08 -55.8 11.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.13 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.78 13.45 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.203 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.98 62.72 1.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.78 0.324 . . . . 1.0 110.817 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.5 mt -134.2 147.72 50.78 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.081 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 54' ' ' SER . 48.9 m -77.94 107.56 10.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.188 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -61.75 -2.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.05 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 52' ' ' SER . 52.1 m -80.56 -16.76 53.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.783 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 56' ' ' VAL . 18.9 p30 -105.06 -31.96 8.94 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.487 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.52 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 19.9 m -56.75 -58.87 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.405 -0.518 . . . . 1.0 110.972 -176.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.499 ' H ' ' CG2' ' A' ' 56' ' ' VAL . 58.3 m -42.95 -42.27 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.803 0.335 . . . . 1.0 111.111 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.422 ' N ' ' HD1' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -74.77 -26.77 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.449 179.444 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' VAL . 22.6 tt0 -68.28 -50.96 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.816 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.8 -42.14 83.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 1.0 110.596 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -45.2 -54.74 6.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.892 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.8 tp -52.17 -72.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.305 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.445 ' H ' ' CD1' ' A' ' 63' ' ' LEU . 10.0 mp -41.99 -56.15 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.873 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.606 ' HZ3' ' H ' ' A' ' 71' ' ' ALA . 41.1 tptt -45.09 -30.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.845 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 m -80.97 -32.2 34.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.226 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.83 0.84 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.033 -0.267 . . . . 1.0 110.951 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.4 t60 65.43 16.1 10.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.711 -0.222 . . . . 1.0 111.573 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.8 mt -92.77 -6.02 49.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.714 0.292 . . . . 1.0 110.4 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.6 t -149.89 142.18 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.634 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 81' ' ' SER . 32.2 ttpt -133.63 166.54 22.36 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.884 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.606 ' H ' ' HZ3' ' A' ' 64' ' ' LYS . . . -143.29 131.79 22.31 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.893 0.378 . . . . 1.0 110.577 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -82.12 142.28 32.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.708 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -100.58 103.66 14.97 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.218 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -109.41 103.03 11.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.141 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -129.69 39.1 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.17 -39.37 15.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.85 0.357 . . . . 1.0 110.38 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 78' ' ' MET . 42.9 t -69.41 -167.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.993 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.476 ' N ' ' OG ' ' A' ' 77' ' ' SER . 20.5 ptt? -165.38 154.43 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.472 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.7 mt -145.93 116.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.292 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -77.16 155.39 32.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.756 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 70' ' ' LYS . 78.4 p -170.23 156.66 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.617 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 83' ' ' ASP . 2.5 tp -74.28 -157.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 82' ' ' LEU . 5.1 m-20 -160.67 -66.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 1.0 110.559 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 7.2 p-10 -69.61 99.2 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.732 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.1 tt -61.59 -9.48 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.426 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -59.23 -55.06 39.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.264 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 88' ' ' ALA . 7.9 p -67.52 -44.95 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.153 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.449 ' N ' ' CG1' ' A' ' 87' ' ' VAL . . . -41.88 -61.64 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 1.0 111.243 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.7 t -64.14 -41.71 97.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.64 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 24.1 ttt -45.04 -32.36 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.815 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 tt -72.4 -61.05 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 1.0 109.999 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -53.95 -31.9 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.546 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.04 -28.68 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.276 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.58 70.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.27 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.1 mt -89.29 -8.52 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.427 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -82.54 -39.4 22.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.75 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.712 -179.292 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 4.0 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 1.0 110.574 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 56.5 p -63.64 -56.08 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.754 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.35 -35.28 77.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.493 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.79 -25.57 41.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.862 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -66.43 -56.19 12.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.788 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.66 -16.05 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.482 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.3 m -72.6 -33.47 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.215 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.17 -36.73 80.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.488 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.5 mt -54.9 -58.14 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -64.55 -44.16 91.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.785 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -54.0 -23.76 14.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.571 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.31 90.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.596 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 mt -54.64 146.97 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.37 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.33 -75.9 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.95 170.13 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 1.0 110.749 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.438 ' C ' ' H ' ' B' ' 28' ' ' ARG . 27.8 m-85 -99.75 -44.39 6.11 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.044 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -68.3 3.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' B' ' 26' ' ' TYR . 66.4 ttp85 -57.9 -45.82 85.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.698 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 tt -68.62 -45.07 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.665 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -43.41 -62.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.056 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.5 pt -61.82 -35.65 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.011 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' B' ' 32' ' ' MET . 1.3 tmt? -59.77 -49.09 79.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.602 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -49.38 -57.31 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.763 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 tp -56.49 -34.19 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.992 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.8 OUTLIER -69.37 -34.67 74.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.99 0.424 . . . . 1.0 110.216 -178.187 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.8 m -46.16 -14.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.941 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' B' ' 35' ' ' LEU . 4.2 p -172.53 84.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.353 0.597 . . . . 1.0 110.511 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 39.1 m -169.83 -172.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.861 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -173.67 111.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.172 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.2 -177.15 5.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.684 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.1 t -77.67 -172.72 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.567 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 38.4 t -86.95 -39.72 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.736 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -82.77 -11.15 82.11 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.29 -0.724 . . . . 1.0 111.29 -178.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -73.11 -69.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 1.0 110.896 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.53 -24.71 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.971 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 58.5 p -66.94 -78.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.015 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -53.86 -46.62 71.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.944 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -42.31 -60.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.455 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.06 22.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.486 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 57.4 66.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 1.0 110.84 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -133.55 145.11 49.81 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.511 ' C ' ' H ' ' B' ' 54' ' ' SER . 88.7 p -82.61 133.07 35.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.326 . . . . 1.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -67.25 8.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.922 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.511 ' H ' ' C ' ' B' ' 52' ' ' SER . 52.7 p -73.99 -50.34 20.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 1.0 110.541 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.53 ' C ' ' H ' ' B' ' 57' ' ' SER . 7.1 m120 -73.92 -33.49 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.468 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 31.9 t -55.1 -2.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.624 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.53 ' H ' ' C ' ' B' ' 55' ' ' ASN . 32.0 p -89.51 -60.42 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.062 0.458 . . . . 1.0 110.039 176.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.477 ' N ' ' OG ' ' B' ' 57' ' ' SER . 27.5 t-80 -79.08 -10.06 59.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.924 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -61.8 -78.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.42 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.68 -38.46 67.0 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.974 -0.29 . . . . 1.0 110.948 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.432 ' O ' ' OG ' ' B' ' 65' ' ' SER . 57.9 tttp -45.08 -61.01 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.819 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.13 -66.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.558 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 8.8 mp -41.42 -56.95 2.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.928 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -55.22 -24.4 27.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.49 -0.323 . . . . 1.0 111.287 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.517 ' C ' ' H ' ' B' ' 67' ' ' HIS . 6.9 m -81.86 -51.69 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.615 -0.266 . . . . 1.0 111.463 -177.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.7 m -65.44 10.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.975 -0.29 . . . . 1.0 111.504 -176.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.517 ' H ' ' C ' ' B' ' 65' ' ' SER . 6.6 t-80 64.81 15.67 9.98 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.044 0.387 . . . . 1.0 112.044 176.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 64.8 mt -91.58 -3.72 56.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.577 0.227 . . . . 1.0 110.601 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 83.8 t -154.31 152.69 9.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.877 0.37 . . . . 1.0 110.395 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -137.61 -176.39 4.39 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.884 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -165.64 147.26 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.595 -0.442 . . . . 1.0 111.433 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -89.14 136.63 32.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.202 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -135.49 87.15 2.3 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.146 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -160.25 64.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.153 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 151.34 90.45 0.08 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.555 -1.018 . . . . 1.0 110.555 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 42.26 -87.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 1.0 111.761 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 75' ' ' GLY . 81.0 p -64.76 -167.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.401 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 4.9 ttt -148.58 107.29 3.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 1.0 109.606 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' B' ' 79' ' ' ILE . 1.6 mp -92.62 103.75 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.616 -176.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -63.37 157.86 22.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 1.0 110.526 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 58.0 m -160.85 -169.43 2.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.516 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 tt -151.43 114.4 4.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.913 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.45 -59.11 3.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.478 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 84' ' ' ASP . 1.2 m-20 -44.46 139.7 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 1.0 111.008 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -111.25 -21.75 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.448 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -73.15 -35.59 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' B' ' 88' ' ' ALA . 10.5 p -62.14 -44.62 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.582 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' B' ' 87' ' ' VAL . . . -56.38 -46.46 80.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.84 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 65.5 p -71.99 -45.69 60.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.4 ttt -46.49 -31.53 2.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 tt -73.0 -59.73 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.01 -0.367 . . . . 1.0 110.01 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -51.63 -30.17 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.443 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.48 -31.63 72.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.359 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.11 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.366 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.0 mt -73.15 -9.77 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.438 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -79.41 -36.46 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.59 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 6.5 t60 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.419 -179.756 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.525 ' N ' ' OE1' ' A' ' 14' ' ' GLU . 22.5 p-10 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.71 0.29 . . . . 1.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 p -82.82 -60.58 2.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.984 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.422 ' O ' ' OG1' ' A' ' 17' ' ' THR . 13.4 mt -72.16 -26.41 62.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.855 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 11' ' ' ASP . 12.4 mp0 -58.53 -14.86 9.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.596 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -79.47 -61.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.497 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.526 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 35.8 m -62.37 -16.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.508 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 13' ' ' LEU . 26.7 m -72.14 -47.61 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.619 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -56.88 -33.83 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.733 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.7 mt -59.99 -63.52 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.876 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 24.8 m-85 -56.5 -43.02 79.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.012 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -54.7 -37.59 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.384 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.77 73.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.723 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.96 159.83 27.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 1.0 110.555 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.622 ' N ' ' NH1' ' A' ' 28' ' ' ARG . . . -173.72 -82.08 0.05 OUTLIER Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.501 ' C ' ' H ' ' A' ' 27' ' ' ASN . 62.4 t0 -73.24 114.8 11.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.84 0.352 . . . . 1.0 110.424 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -61.0 0.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.993 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.501 ' H ' ' C ' ' A' ' 25' ' ' ASP . 14.7 t30 -85.99 -12.23 50.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 1.0 110.598 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.622 ' NH1' ' N ' ' A' ' 24' ' ' GLY . 96.4 mtt180 -65.5 -54.08 33.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.984 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.9 tt -45.24 -47.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.623 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -42.03 -72.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.323 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 pt -61.03 -38.28 79.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.922 -178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.3 ttt -48.52 -45.3 37.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 1.0 110.475 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -60.42 -42.49 96.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.724 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.05 -34.81 58.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.973 0.416 . . . . 1.0 110.032 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.68 -37.62 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.418 . . . . 1.0 109.996 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 t -74.18 3.01 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.258 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.8 t -134.33 70.49 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.274 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m 63.58 113.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.946 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -66.93 170.84 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.656 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -177.59 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.528 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.424 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 8.9 p -64.28 165.18 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.386 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -75.77 -37.03 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.27 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 46' ' ' SER . . . -80.66 -72.24 1.23 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.579 -0.609 . . . . 1.0 111.579 -178.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -39.11 -53.87 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.626 0.25 . . . . 1.0 111.56 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' A' ' 41' ' ' SER . 17.8 tt -45.37 -33.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.826 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.457 ' HG ' ' N ' ' A' ' 47' ' ' HIS . 55.0 p -81.79 -55.86 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.16 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.457 ' N ' ' HG ' ' A' ' 46' ' ' SER . 55.6 t-80 -48.53 -50.24 32.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.025 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.46 -51.29 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.81 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.4 0.7 6.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.056 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 62.23 77.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.765 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.6 tp -148.05 147.18 29.29 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.875 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 54' ' ' SER . 16.9 m -80.46 123.19 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.913 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' OE1' ' OG ' ' A' ' 46' ' ' SER . 16.7 mm100 -64.14 -1.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.681 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 52' ' ' SER . 29.3 t -67.78 -48.56 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.685 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -81.93 -35.23 29.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.063 -178.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.4 t -40.45 -77.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.425 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.9 m -37.24 -49.09 0.91 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.928 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -75.5 -24.94 56.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.871 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 56' ' ' VAL . 10.1 tt0 -68.0 -58.35 4.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.008 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 63' ' ' LEU . 12.5 mt -50.41 -47.24 56.59 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.009 -0.276 . . . . 1.0 110.709 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -37.91 -56.58 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.636 -178.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.415 ' O ' ' OG ' ' A' ' 65' ' ' SER . 36.3 tp -56.32 -32.14 64.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.606 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' LEU . 12.0 mt -74.78 -54.48 7.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.956 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -70.16 -0.45 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.106 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 62' ' ' LEU . 94.7 p -79.0 -56.68 4.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 1.0 110.94 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 m -94.6 35.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.644 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.1 t60 60.19 22.47 11.81 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.912 0.338 . . . . 1.0 111.912 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.39 -18.95 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.709 -0.397 . . . . 1.0 110.075 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.4 m -152.29 149.29 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.276 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -96.66 124.37 40.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.449 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.84 160.68 17.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.616 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -152.63 131.6 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.226 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.535 ' CZ ' ' SD ' ' A' ' 78' ' ' MET . 81.3 mtt180 -137.91 121.63 17.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.472 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -160.5 78.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.236 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.82 -64.23 0.42 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.245 -1.142 . . . . 1.0 110.245 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -172.64 -62.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 1.0 110.336 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.2 m -63.33 -167.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.502 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.535 ' SD ' ' CZ ' ' A' ' 73' ' ' ARG . 41.5 mtt -144.17 99.1 3.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.505 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 72.5 mt -87.57 103.65 13.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.626 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -97.75 145.56 26.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.217 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.6 t -159.64 -178.28 6.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.738 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.88 -158.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.562 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -172.74 -41.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.402 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 48.2 t0 -65.04 157.8 27.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.417 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 24.2 pt -111.11 -16.48 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.425 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.576 ' HE2' ' CE ' ' A' ' 90' ' ' MET . 46.1 t60 -79.07 -59.47 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.929 -178.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 88' ' ' ALA . 11.6 p -44.07 -42.17 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.12 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.408 ' N ' ' CG1' ' A' ' 87' ' ' VAL . . . -69.45 -38.92 77.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.964 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -75.5 -34.29 60.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.804 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.576 ' CE ' ' HE2' ' A' ' 86' ' ' HIS . 30.6 ttm -62.44 -30.74 71.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.771 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.4 mt -77.23 -48.14 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 1.0 110.479 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -42.21 -72.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.467 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -58.69 -29.17 66.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.632 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.5 -60.09 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.801 -0.36 . . . . 1.0 111.218 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.5 pt -77.66 -2.56 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.165 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -78.68 -35.11 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 1.0 110.326 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.837 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.805 0.336 . . . . 1.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.6 m -59.91 -46.87 87.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.74 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.31 -39.23 89.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.969 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -53.66 -37.19 62.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.162 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -58.28 -55.8 30.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.051 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.4 m -67.09 -17.03 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.989 0.423 . . . . 1.0 110.521 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -78.37 -15.96 58.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.619 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -81.97 -49.77 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.928 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 pt -49.49 -43.57 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.879 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -69.32 -45.35 69.7 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.347 -0.541 . . . . 1.0 110.546 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -49.87 -18.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.51 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.54 -35.62 75.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.555 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.13 152.09 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.47 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -169.07 -100.17 0.13 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.744 -0.942 . . . . 1.0 110.744 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -61.74 109.3 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.789 0.328 . . . . 1.0 110.57 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -72.07 4.43 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.847 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -80.6 -7.82 59.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.437 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -70.82 -35.57 72.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.82 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -43.47 -59.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.95 0.405 . . . . 1.0 110.832 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -41.83 -68.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.405 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.7 pt -63.0 -26.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.166 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' B' ' 32' ' ' MET . 10.9 tmm? -67.4 -42.77 82.76 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.39 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.89 -36.5 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.52 -37.4 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.421 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.2 OUTLIER -72.66 -31.61 65.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 1.0 109.981 -179.064 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -41.07 -21.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.016 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.6 p -164.15 69.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.695 0.76 . . . . 1.0 109.944 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -172.95 160.46 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.396 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -145.12 125.97 14.39 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.28 177.34 9.69 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.774 -0.37 . . . . 1.0 110.97 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -74.25 175.74 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.333 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 24.2 m -79.63 -37.97 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.624 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.01 -43.72 7.45 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.129 -0.788 . . . . 1.0 111.129 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -44.26 -47.49 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 1.0 111.021 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -65.61 -25.53 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.884 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.517 ' OG ' ' NE2' ' B' ' 53' ' ' GLN . 3.2 m -66.35 -44.95 81.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.934 -178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.51 -49.59 46.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.037 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.63 -61.48 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.033 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.8 -6.74 12.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.127 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 62.59 80.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 1.0 110.677 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 tp -152.73 148.77 27.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.923 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.527 ' OG ' ' ND2' ' B' ' 55' ' ' ASN . 11.4 p -82.96 121.82 27.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.79 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.517 ' NE2' ' OG ' ' B' ' 46' ' ' SER . 2.5 tp-100 -49.03 -47.56 44.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.425 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 69.9 m -31.95 -38.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.709 -0.678 . . . . 1.0 112.252 -177.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.527 ' ND2' ' OG ' ' B' ' 52' ' ' SER . 20.3 p30 -87.72 -41.83 13.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.612 0.244 . . . . 1.0 110.695 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 59' ' ' GLN . 77.0 t -39.44 -80.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.737 0.303 . . . . 1.0 111.336 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 39.3 t -40.1 -33.41 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.383 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.624 ' N ' ' HD1' ' B' ' 58' ' ' HIS . 0.2 OUTLIER -82.83 -28.27 30.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.036 -179.468 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' B' ' 56' ' ' VAL . 11.9 mm-40 -67.2 -51.48 52.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.606 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.26 -43.76 92.45 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.82 -0.352 . . . . 1.0 110.593 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -43.94 -49.14 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.007 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.07 -51.44 70.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.89 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.18 -66.97 0.49 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.797 0.332 . . . . 1.0 110.662 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -23.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.182 -177.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -84.09 8.19 16.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.519 -0.309 . . . . 1.0 111.393 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.32 15.07 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.717 0.294 . . . . 1.0 110.442 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 65.42 20.11 11.71 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.877 0.325 . . . . 1.0 111.877 175.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 41.5 mt -90.93 -18.11 25.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.639 0.257 . . . . 1.0 110.706 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -147.17 114.94 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.356 . . . . 1.0 110.72 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -96.27 153.0 18.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.926 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.77 -178.6 4.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.489 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -151.37 135.93 17.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.395 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -84.99 118.95 24.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.919 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.45 118.18 17.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.079 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.79 2.31 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -165.88 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 1.0 110.044 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' B' ' 78' ' ' MET . 29.4 t -66.66 -167.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.98 177.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.502 ' N ' ' OG ' ' B' ' 77' ' ' SER . 3.7 ptt? -155.54 99.13 2.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.055 0.455 . . . . 1.0 109.786 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.75 134.2 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.807 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -93.64 151.19 19.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.647 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.7 m -156.21 150.34 25.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.563 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.529 ' C ' ' H ' ' B' ' 84' ' ' ASP . 13.3 mt -76.65 -62.02 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.651 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 69.45 -13.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' B' ' 82' ' ' LEU . 13.2 m-20 -78.97 105.55 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.717 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 5.7 tp -76.09 -22.54 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.493 ' O ' ' SD ' ' B' ' 90' ' ' MET . 40.0 t-80 -64.15 -69.66 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.711 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 34.8 t -51.78 -30.65 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.92 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.3 80.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.84 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 34.3 m -77.44 -52.89 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.885 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' B' ' 90' ' ' MET . 0.0 OUTLIER -44.81 -32.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.835 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 21.4 mt -78.07 -46.22 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 1.0 110.607 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -47.84 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.046 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.483 ' O ' ' ND1' ' B' ' 97' ' ' HIS . 91.0 mt-30 -47.84 -34.54 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.138 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.92 -55.0 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.036 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 68.6 mt -76.96 -8.83 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.595 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -74.46 -41.41 60.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.014 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' B' ' 93' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.663 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.568 0.223 . . . . 1.0 111.17 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.648 ' HG1' ' N ' ' A' ' 13' ' ' LEU . 15.4 p -64.28 -40.29 95.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 1.0 110.634 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.648 ' N ' ' HG1' ' A' ' 12' ' ' THR . 2.4 tt -66.58 -43.23 85.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.19 0.519 . . . . 1.0 109.9 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 17' ' ' THR . 81.0 tt0 -43.89 -52.68 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.085 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -51.02 -36.87 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.939 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.7 t -68.91 -22.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 1.0 110.644 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 15.8 p -79.65 -15.43 57.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.051 177.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -79.74 -36.44 37.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.26 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -60.19 -54.88 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.372 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -55.93 -42.04 75.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.741 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -78.98 -13.98 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.922 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.12 -58.81 6.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.919 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -175.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.575 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.15 -104.62 0.2 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.0 127.42 31.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 1.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 41.1 p90 -41.01 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.318 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.568 ' ND2' ' CZ ' ' A' ' 26' ' ' TYR . 53.6 m-80 -58.13 -4.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.533 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.51 ' H ' ' C ' ' A' ' 26' ' ' TYR . 14.8 tpp180 -69.39 -28.63 66.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.724 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.8 mm -76.11 -58.87 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.694 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -44.7 -71.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.055 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.3 tt -43.2 -42.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.367 -178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.16 -35.49 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.532 -0.304 . . . . 1.0 110.963 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -65.01 -33.02 75.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.911 -0.315 . . . . 1.0 110.591 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -42.44 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.439 . . . . 1.0 110.153 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' VAL . 36.0 tp -61.33 -29.71 70.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.142 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.4 t -44.87 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.771 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' LEU . 52.6 t -85.74 -47.46 16.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.304 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t 62.78 78.57 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -172.24 50.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.578 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.07 169.46 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 1.0 110.895 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -81.79 -175.38 5.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.175 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -74.44 -37.06 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.94 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.19 -50.83 2.34 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.211 -0.755 . . . . 1.0 111.211 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -46.93 -33.03 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 1.0 111.068 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.6 tt -74.53 -21.2 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.065 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 t -79.39 -45.92 18.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.037 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.518 ' C ' ' H ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -63.18 -51.6 65.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.868 -178.645 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -70.52 12.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.725 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 47' ' ' HIS . 36.2 tp -132.89 -12.47 2.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.255 -0.43 . . . . 1.0 109.985 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.69 85.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.184 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.88 146.49 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.287 -0.634 . . . . 1.0 109.287 -178.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 54' ' ' SER . 57.9 m -74.21 114.92 13.11 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.263 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.524 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 26.5 mp0 -56.84 -3.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.993 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 52' ' ' SER . 23.1 t -81.9 -19.78 40.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.729 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -97.45 -42.45 7.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.264 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.557 ' CG2' ' H ' ' A' ' 57' ' ' SER . 30.9 m -44.99 -62.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.807 -0.357 . . . . 1.0 111.144 -176.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.557 ' H ' ' CG2' ' A' ' 56' ' ' VAL . 8.6 t -47.1 -39.27 12.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.807 0.337 . . . . 1.0 110.907 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -70.94 -32.5 69.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.077 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.56 -51.67 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.291 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.07 -57.56 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.544 -0.298 . . . . 1.0 111.548 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -39.39 -65.32 0.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 1.0 111.581 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -57.86 -46.38 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.666 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.15 -37.99 84.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.504 -175.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' A' ' 70' ' ' LYS . 67.8 mttm -80.17 -38.14 31.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.318 . . . . 1.0 111.005 -178.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 67' ' ' HIS . 11.6 t -52.92 -43.54 66.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.357 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.4 m -60.51 0.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.002 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' A' ' 65' ' ' SER . 7.4 t-80 73.66 15.91 3.96 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.27 0.356 . . . . 1.0 111.9 176.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.5 mt -81.79 -74.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 1.0 110.13 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.4 t -76.55 149.5 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.946 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.517 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 97.0 mttt -111.96 -176.01 2.83 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.134 -0.484 . . . . 1.0 109.959 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.97 152.03 14.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 1.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -141.06 159.45 42.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.648 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 ptt85 -133.44 127.8 34.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.999 0.428 . . . . 1.0 110.547 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -159.57 68.53 0.41 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.177 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.63 -78.89 0.2 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.316 -1.114 . . . . 1.0 110.316 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -155.77 -72.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.1 m -62.69 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.642 . . . . 1.0 109.928 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.8 mtt -125.79 112.33 15.92 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.786 0.327 . . . . 1.0 110.458 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.1 mm -85.19 92.87 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.309 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -67.54 152.88 44.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.635 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.8 t -171.09 138.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.006 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.95 -172.18 3.59 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.912 -0.403 . . . . 1.0 109.912 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 17.2 p-10 -127.69 -49.96 1.37 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.231 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 86' ' ' HIS . 21.8 m-20 -74.84 82.58 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.474 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -61.53 -0.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.54 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' A' ' 84' ' ' ASP . 7.5 t60 -68.01 -44.8 75.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.0 t -55.88 -48.91 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.673 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.44 -53.24 11.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.2 p -68.94 -45.07 71.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.548 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.2 ttt -47.0 -30.32 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.637 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 tt -71.4 -65.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.953 -0.388 . . . . 1.0 109.953 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -47.69 -42.52 25.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.374 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.542 HE21 ' CE1' ' A' ' 97' ' ' HIS . 16.0 tm0? -53.31 -32.37 48.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.271 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.28 -45.45 47.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.502 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.2 mm -69.73 -5.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.268 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.474 ' C ' ' HD1' ' A' ' 96' ' ' HIS . 4.2 t-80 -84.2 -67.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.71 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.542 ' CE1' HE21 ' A' ' 93' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.811 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.754 0.311 . . . . 1.0 110.418 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -58.73 -35.14 72.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.668 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -72.49 -36.3 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.556 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -50.79 -26.51 5.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.333 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mmm-85 -73.34 -42.55 62.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.358 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 5.2 t -66.04 -22.93 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.387 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 75.9 m -84.26 -19.11 34.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.616 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.38 -31.12 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.879 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 pt -72.05 -38.3 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.844 -0.342 . . . . 1.0 110.663 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -64.44 -39.87 94.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.416 -0.514 . . . . 1.0 110.233 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -81.28 -9.33 59.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.91 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.58 -58.38 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.003 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -171.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.498 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.54 -75.52 0.04 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.25 -179.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 1.0 110.724 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.51 ' C ' ' H ' ' B' ' 28' ' ' ARG . 16.7 m-85 -99.99 -47.03 5.15 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.01 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.559 ' N ' HD21 ' B' ' 27' ' ' ASN . 1.4 m120 -64.63 3.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.78 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.51 ' H ' ' C ' ' B' ' 26' ' ' TYR . 2.2 tmt_? -58.25 -29.86 66.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.165 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' B' ' 32' ' ' MET . 16.1 mt -81.73 -46.13 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.8 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 -42.36 -46.43 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.08 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.8 pt -74.72 -29.35 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.538 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' MET . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' ILE . 20.9 ttt -64.66 -46.37 82.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.851 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.59 -21.37 65.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.832 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -78.06 -39.45 41.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.685 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.455 ' C ' ' N ' ' B' ' 37' ' ' VAL . 35.9 mt -67.11 -27.15 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.704 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -46.88 -17.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 1.0 110.224 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.455 ' N ' ' C ' ' B' ' 35' ' ' LEU . 5.4 p -171.63 77.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.581 -0.736 . . . . 1.0 109.808 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 33.9 t -172.42 178.81 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.561 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -178.34 132.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.224 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.25 -177.72 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.861 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 24.5 m -77.4 176.53 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.325 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.5 t -75.14 -39.94 43.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.009 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.64 -55.74 2.5 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -43.48 -49.52 7.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.769 0.319 . . . . 1.0 111.134 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 14.7 tt -55.53 -25.49 17.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.906 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -74.49 -65.06 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.162 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.67 ' HE2' ' NE2' ' B' ' 53' ' ' GLN . 34.5 m80 -52.0 -48.51 64.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.153 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -52.58 -50.65 62.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.784 -177.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 mt -80.65 8.58 7.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.226 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.44 ' ND2' ' N ' ' B' ' 50' ' ' ASN . 2.0 m120 59.31 53.64 5.19 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.765 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 33.4 mt -129.63 154.66 46.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.244 -0.435 . . . . 1.0 109.965 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.7 t -79.94 116.54 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.568 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.67 ' NE2' ' HE2' ' B' ' 47' ' ' HIS . 39.0 mt-30 -42.91 -55.78 3.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.997 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' B' ' 55' ' ' ASN . 82.8 p -44.16 -64.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.888 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.427 ' N ' ' OG ' ' B' ' 54' ' ' SER . 64.0 t30 -53.74 -50.71 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.516 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.5 t -50.12 -68.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.392 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.5 p -45.83 -47.49 15.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.778 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -60.58 -26.31 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.724 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -71.56 -48.64 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.865 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 mt -55.79 -41.02 73.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 1.0 110.587 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -46.64 -57.82 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.461 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 tp -47.76 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.386 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.482 ' CD1' ' H ' ' B' ' 63' ' ' LEU . 9.2 mp -42.36 -51.62 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.891 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -43.68 -53.0 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.152 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.512 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 10.6 m -64.5 -29.5 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.233 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.458 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 25.9 t -81.54 -6.99 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.754 -178.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' B' ' 65' ' ' SER . 1.2 m170 75.73 20.59 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.635 177.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 26.2 mt -83.98 -9.24 58.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.142 -0.223 . . . . 1.0 110.731 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -152.53 139.0 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.014 0.435 . . . . 1.0 111.053 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -98.62 168.67 10.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.788 -0.642 . . . . 1.0 109.765 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -149.18 116.52 6.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.822 0.344 . . . . 1.0 110.724 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -82.14 134.86 35.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.47 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -78.04 117.24 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.726 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -142.37 103.0 4.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.528 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 -145.56 37.37 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -62.87 -61.81 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.672 0.273 . . . . 1.0 111.048 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 66.5 m -85.26 -167.6 1.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.876 0.37 . . . . 1.0 110.982 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.8 mtt -141.47 132.94 26.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.25 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.3 mt -83.11 120.31 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.714 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -78.1 132.52 37.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.559 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -164.18 132.56 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.705 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.17 -168.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.057 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -154.19 -31.01 0.11 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.626 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' B' ' 84' ' ' ASP . 1.2 p30 -70.8 88.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.43 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.0 pt -76.69 2.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -64.92 -45.67 84.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.588 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -71.87 -29.19 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.587 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.26 97.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.656 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 27.7 p -73.35 -40.42 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.611 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 77.4 mtp -63.53 -20.62 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 tt -72.44 -64.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.186 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 96' ' ' HIS . 75.4 mttt -50.37 -60.53 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.68 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -41.28 -37.64 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.202 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.87 -59.0 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.839 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 23.5 pt -81.24 -1.76 5.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.217 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' B' ' 92' ' ' LYS . 58.7 t-80 -81.09 -27.58 35.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 1.0 110.478 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.458 ' N ' ' HD1' ' B' ' 97' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.638 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.662 0.268 . . . . 1.0 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -36.0 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.669 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.0 -40.33 95.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.455 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -50.7 -21.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.898 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -66.42 -60.4 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.077 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 m -57.9 -15.67 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.569 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -78.82 -26.72 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.242 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -77.19 -43.11 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.285 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 pt -58.89 -38.18 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.92 -0.312 . . . . 1.0 111.254 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -71.27 -35.89 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.18 -0.608 . . . . 1.0 109.92 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -53.04 -28.1 22.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.737 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.51 96.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.773 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 3.5 mm? -51.82 130.27 28.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.043 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -172.85 128.43 1.53 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER 58.29 119.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 1.0 110.806 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.461 ' C ' ' N ' ' A' ' 28' ' ' ARG . 12.3 p90 -50.95 -34.0 26.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.538 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -45.22 -18.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.1 0.476 . . . . 1.0 110.442 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' N ' ' C ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -60.12 -54.03 50.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.332 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mt -62.44 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -43.09 -73.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.819 0.342 . . . . 1.0 111.101 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 tt -52.16 -46.23 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.618 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.0 tpt -46.05 -35.05 4.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.041 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.65 -32.58 65.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.473 -0.33 . . . . 1.0 111.02 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.2 tp -74.24 -40.2 62.56 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.499 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.475 ' C ' ' N ' ' A' ' 37' ' ' VAL . 49.1 mt -61.96 -25.74 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t -45.06 -17.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 1.0 110.645 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.475 ' N ' ' C ' ' A' ' 35' ' ' LEU . 73.7 t -82.59 -46.59 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.039 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' LEU . 3.9 p 79.69 48.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.839 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -171.49 81.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.845 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.55 128.18 5.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.628 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.3 t -56.68 156.96 5.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.224 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.78 -40.39 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.039 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.46 -48.86 9.92 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.511 -0.636 . . . . 1.0 111.511 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -42.68 -42.28 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.71 0.291 . . . . 1.0 111.145 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 mm -49.44 -39.68 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.717 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 47' ' ' HIS . 86.6 p -71.9 -70.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.91 0.386 . . . . 1.0 111.282 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.643 ' CD2' HE21 ' A' ' 53' ' ' GLN . 23.6 m170 -55.94 -51.59 67.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.404 -177.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -57.99 -57.92 10.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.373 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.9 3.44 6.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.73 -176.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 60.37 61.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.89 -0.324 . . . . 1.0 111.279 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.6 mt -134.32 155.45 50.21 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.53 ' C ' ' H ' ' A' ' 54' ' ' SER . 10.3 t -79.86 127.5 32.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.661 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.643 HE21 ' CD2' ' A' ' 47' ' ' HIS . 22.2 mp0 -52.8 -5.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.537 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 52' ' ' SER . 20.0 m -85.91 -24.39 26.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 1.0 110.372 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -84.66 -50.4 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.166 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.577 ' CG2' ' H ' ' A' ' 57' ' ' SER . 26.8 m -53.72 -64.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.916 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.577 ' H ' ' CG2' ' A' ' 56' ' ' VAL . 7.0 t -40.29 -48.63 2.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.328 . . . . 1.0 111.379 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -71.6 -27.33 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.493 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 56' ' ' VAL . 4.4 tp-100 -63.8 -66.62 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.991 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -47.42 -38.89 14.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.644 0.259 . . . . 1.0 111.184 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -44.55 -62.86 1.04 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.722 0.296 . . . . 1.0 110.837 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.79 -64.84 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.372 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 mt -37.05 -51.22 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.834 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -59.2 -38.13 79.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.546 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 67' ' ' HIS . 29.7 p -70.76 -52.99 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.504 -0.317 . . . . 1.0 111.579 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.1 m -53.76 -4.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.66 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.519 ' H ' ' C ' ' A' ' 65' ' ' SER . 10.8 t-80 72.63 16.14 4.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.747 0.277 . . . . 1.0 111.747 177.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.34 -79.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.163 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 m -74.59 155.7 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 1.0 110.813 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -129.77 146.5 51.52 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.202 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.67 163.41 15.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -151.34 143.54 24.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.412 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.3 ptt85 -139.4 106.25 5.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.963 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -158.43 83.86 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.418 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.73 -170.24 45.73 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.371 -1.091 . . . . 1.0 110.371 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 40.89 -99.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 1.0 111.095 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 m -162.13 -170.48 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 58.7 mtm -67.59 118.46 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.37 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 82.8 mt -132.96 117.05 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.215 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -91.07 141.32 28.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.588 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.0 t -159.62 179.08 9.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.535 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.35 -158.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.534 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -169.13 -58.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.423 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.2 111.44 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.455 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.3 tt -67.11 -23.53 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.663 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -68.21 -57.71 5.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.77 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.2 t -51.71 -37.88 20.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.877 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.65 -41.98 87.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.719 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.536 ' HG1' ' H ' ' A' ' 90' ' ' MET . 22.2 p -73.79 -50.27 21.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.592 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.536 ' H ' ' HG1' ' A' ' 89' ' ' THR . 93.4 mtp -44.29 -29.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.97 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 tt -74.18 -60.33 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.077 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -47.14 -61.08 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.535 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -43.99 -39.83 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.066 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.69 -63.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.977 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.5 pt -74.62 -1.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.126 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -75.37 -41.28 56.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 1.0 110.458 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.7 t60 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.688 -179.734 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.719 0.295 . . . . 1.0 110.795 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.1 m -79.59 -58.07 3.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.812 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 21.5 mt -79.05 -13.99 59.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.813 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -55.07 -35.39 64.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.497 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -67.43 -50.06 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.382 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.48 -20.63 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.383 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.9 m -80.54 -25.95 38.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.218 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -66.34 -28.56 68.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.417 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 40.3 mt -74.31 -58.5 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.494 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -64.39 -45.19 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.757 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -50.63 -41.01 54.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.47 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.22 70.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.43 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 tt -45.5 125.42 5.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.314 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' B' ' 25' ' ' ASP . . . -159.83 124.48 1.35 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.14 -0.784 . . . . 1.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.522 ' C ' ' H ' ' B' ' 27' ' ' ASN . 9.4 m-20 57.17 114.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 1.0 110.656 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -58.31 -3.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' B' ' 25' ' ' ASP . 3.1 m120 -62.89 -17.62 61.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.684 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -61.02 -56.6 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.722 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mm -45.09 -51.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.476 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -45.7 -52.24 11.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.577 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' B' ' 34' ' ' LEU . 83.4 mt -67.07 -62.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.465 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 64.5 mmm -44.35 -32.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.819 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -74.5 -31.44 62.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.82 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' B' ' 31' ' ' ILE . 0.2 OUTLIER -72.1 -38.01 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.279 -178.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.47 -45.57 75.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.887 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 51.5 p -46.12 -24.04 0.39 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.794 0.331 . . . . 1.0 110.539 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -78.14 -41.84 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.652 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.511 ' OG ' ' N ' ' B' ' 39' ' ' GLU . 12.3 t -177.64 -113.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.782 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.511 ' N ' ' OG ' ' B' ' 38' ' ' SER . 8.5 pt-20 -166.29 165.47 17.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 1.0 110.464 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.21 176.02 11.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.588 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -69.83 164.21 24.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.592 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' B' ' 43' ' ' GLY . 7.8 p -63.37 -42.34 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 1.0 111.384 -178.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.41 ' N ' ' CG1' ' B' ' 42' ' ' VAL . . . -84.66 -66.77 1.45 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.961 -0.456 . . . . 1.0 111.961 -177.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -39.57 -48.89 2.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.677 0.251 . . . . 1.0 111.677 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 tt -44.81 -32.12 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.963 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -75.46 -42.14 53.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.236 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -59.22 -54.46 46.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.16 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -66.05 -44.55 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.151 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.25 -9.46 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 1.0 110.515 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 67.2 69.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.227 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -140.54 149.01 41.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.043 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.516 ' C ' ' H ' ' B' ' 54' ' ' SER . 17.4 t -77.94 116.74 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.254 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.66 -3.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.444 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.516 ' H ' ' C ' ' B' ' 52' ' ' SER . 8.3 t -76.73 -42.11 42.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 1.0 110.494 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' B' ' 59' ' ' GLN . 1.5 m-20 -87.26 -36.41 17.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.78 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' B' ' 59' ' ' GLN . 92.2 t -43.24 -76.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.325 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -43.4 -47.64 6.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.048 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -65.44 -29.35 70.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.612 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' B' ' 55' ' ' ASN . 5.3 tp-100 -66.86 -59.38 3.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.785 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 39.6 mt -44.11 -33.7 1.57 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.839 0.352 . . . . 1.0 110.858 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -51.58 -52.32 48.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.733 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.19 -27.44 69.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.358 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.485 ' N ' ' CD2' ' B' ' 63' ' ' LEU . 3.4 mm? -76.15 -46.65 27.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.621 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' B' ' 66' ' ' VAL . 58.2 tttm -75.02 -37.77 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.394 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -58.8 0.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.506 -0.315 . . . . 1.0 111.556 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' B' ' 64' ' ' LYS . 2.5 t -133.8 15.44 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.665 0.269 . . . . 1.0 110.724 -178.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.4 m170 62.23 15.93 7.96 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.195 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.51 -21.91 55.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.115 0.483 . . . . 1.0 109.765 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -150.46 144.18 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' B' ' 70' ' ' LYS . 3.2 mptp? -96.33 154.91 17.0 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -149.06 100.42 3.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.253 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.428 ' NZ ' ' CB ' ' B' ' 72' ' ' LYS . 2.1 ttmp? -155.35 152.75 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.323 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -82.1 163.25 22.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.744 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -156.09 66.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.905 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.21 27.41 61.98 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.624 -0.59 . . . . 1.0 111.624 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -153.53 -81.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.684 0.278 . . . . 1.0 110.429 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 73.3 p -166.81 -169.46 1.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 21.5 mmt -64.95 119.65 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.363 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 tt -145.95 124.82 5.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.878 0.37 . . . . 1.0 110.482 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 15.8 p90 -112.72 145.73 39.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.754 -178.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.9 p -160.85 174.23 14.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.725 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' B' ' 82' ' ' LEU . 7.0 mp -87.76 120.62 29.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.278 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -85.71 -45.59 11.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -77.8 100.56 6.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.801 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 14.0 mm -61.59 -32.05 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.523 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -45.8 -46.29 15.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.702 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.6 -47.21 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.758 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.42 -62.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.096 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 18.6 m -60.72 -39.56 89.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.017 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 21.4 ttt -45.26 -35.01 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.933 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 94' ' ' ALA . 13.6 mt -74.23 -61.35 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.55 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' B' ' 96' ' ' HIS . 0.9 OUTLIER -45.8 -33.25 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 1.0 110.317 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.51 -30.78 70.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.695 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -73.71 -45.56 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.98 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.486 ' CD1' ' N ' ' B' ' 95' ' ' ILE . 1.9 mp -73.49 -7.85 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.514 -0.312 . . . . 1.0 110.23 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' B' ' 92' ' ' LYS . 39.9 m170 -86.29 -47.39 9.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.516 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.452 -179.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.739 0.304 . . . . 1.0 110.706 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.6 m -68.62 -60.18 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.728 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.6 mt -72.84 -20.05 61.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.465 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.01 -35.56 62.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.577 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -75.66 -41.16 54.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.77 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.42 -26.75 27.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.602 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -79.68 -28.88 40.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.131 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.91 -37.54 87.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.164 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.84 -61.21 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.49 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -62.75 -45.16 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.653 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.31 -17.07 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.652 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -44.04 80.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.591 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' ' CD1' ' B' ' 20' ' ' PHE . 13.9 mt -55.49 163.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.477 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.518 ' H ' ' NE ' ' A' ' 28' ' ' ARG . . . -173.42 -83.58 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.723 ' H ' HH21 ' A' ' 28' ' ' ARG . 64.4 m-20 -61.37 178.65 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 1.0 110.597 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -100.27 -49.63 4.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.465 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -69.34 3.24 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.209 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.723 HH21 ' H ' ' A' ' 25' ' ' ASP . 4.2 ptp180 -60.98 -32.52 72.08 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.842 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.1 tt -83.03 -45.67 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.952 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -38.32 -41.56 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.541 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.91 -53.56 25.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.452 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.6 mtp -46.18 -32.44 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.791 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' OG ' ' A' ' 36' ' ' SER . 43.8 mt-10 -66.34 -74.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.771 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.3 tp -49.0 -30.71 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.613 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 38' ' ' SER . 11.0 tp -70.21 -54.77 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.631 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 24.7 p -45.34 -23.56 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.75 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.4 ' O ' ' OG ' ' A' ' 38' ' ' SER . 57.4 t -81.17 -35.38 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.911 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 35' ' ' LEU . 17.2 m -165.61 -138.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.839 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.7 166.68 31.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.421 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.17 -177.92 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.648 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -71.92 168.75 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.7 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 t -65.37 -52.45 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.384 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.99 -43.61 8.11 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.228 -0.511 . . . . 1.0 111.88 -176.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -45.54 -28.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.369 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.4 mt -77.88 -25.37 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.973 -0.291 . . . . 1.0 110.993 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' GLY . 3.5 m -68.91 -51.13 43.2 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.95 -0.3 . . . . 1.0 111.372 -177.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -70.7 -50.35 37.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.249 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -61.71 -46.42 89.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.396 . . . . 1.0 111.136 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 tp -76.89 -1.69 29.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 1.0 110.821 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.55 65.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.946 0.403 . . . . 1.0 110.421 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tp -144.57 153.39 41.76 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.253 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.531 ' C ' ' H ' ' A' ' 54' ' ' SER . 13.9 t -82.23 124.63 30.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.807 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -61.04 1.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.427 -0.351 . . . . 1.0 111.212 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 52' ' ' SER . 53.6 p -88.62 -26.08 22.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 1.0 110.338 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -86.33 -41.8 14.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.186 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.483 ' CG2' ' H ' ' A' ' 57' ' ' SER . 29.2 m -42.56 -59.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.202 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.483 ' H ' ' CG2' ' A' ' 56' ' ' VAL . 23.2 m -39.62 -64.89 0.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.726 0.298 . . . . 1.0 111.39 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -61.15 -30.97 70.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.577 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.585 HE22 ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -62.18 -67.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.612 -178.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.42 -47.02 85.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.85 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -44.5 -53.73 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.827 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.9 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.558 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.585 ' CD1' HE22 ' A' ' 59' ' ' GLN . 27.1 mt -44.55 -53.65 6.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.92 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -47.4 -49.43 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.042 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.2 m -61.44 -36.01 79.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.188 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.4 t -77.87 -3.59 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.682 -178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 71.41 15.91 6.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.56 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.5 mt -79.96 -13.68 59.16 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.001 -0.37 . . . . 1.0 110.001 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.7 t -148.58 132.33 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.182 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -96.67 -172.47 2.5 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.512 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.08 108.09 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.404 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -75.05 138.85 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.562 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -109.86 90.54 3.34 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.74 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.65 113.51 25.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 38.06 53.36 2.08 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.859 -0.496 . . . . 1.0 111.859 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 67.78 77.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 1.0 110.648 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 t -169.45 104.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.59 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 33.0 mtt -81.98 110.09 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.665 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.52 116.22 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.887 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.491 ' C ' ' HG ' ' A' ' 81' ' ' SER . 41.9 m-85 -73.41 126.13 29.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.85 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.491 ' HG ' ' C ' ' A' ' 80' ' ' TYR . 18.5 m -151.28 142.12 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.662 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.1 tp -90.85 114.06 26.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.313 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.79 -37.77 67.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.559 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 4.5 m-20 -82.35 87.58 6.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.661 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.6 mt -77.56 -11.28 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.423 ' ND1' ' N ' ' A' ' 86' ' ' HIS . 2.3 m-70 -61.68 -54.4 43.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.978 -179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.05 -26.8 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.308 . . . . 1.0 110.643 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.43 -48.07 75.01 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.137 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.6 m -63.59 -37.1 86.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 90' ' ' MET . 10.8 tmm? -46.59 -35.38 5.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.691 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 91' ' ' LEU . 3.3 mm? -72.84 -55.95 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.955 -0.387 . . . . 1.0 109.955 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -41.35 -47.72 3.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -66.55 -32.19 73.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.662 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -68.0 -51.69 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.761 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.8 mm -63.61 -11.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.655 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.469 ' C ' ' HD1' ' A' ' 96' ' ' HIS . 4.7 t-80 -83.45 -41.46 18.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.504 -0.317 . . . . 1.0 110.568 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.48 ' O ' ' ND1' ' A' ' 97' ' ' HIS . 1.5 t60 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.493 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.845 0.355 . . . . 1.0 110.736 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.9 m -70.84 -34.31 71.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.78 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 tp -58.86 -45.42 90.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.347 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -46.98 -50.4 19.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.736 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -51.26 -37.42 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.32 -22.16 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.533 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.7 m -79.89 -24.59 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.354 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -70.07 -35.62 74.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.555 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.0 mt -64.57 -58.22 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.682 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.458 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 65.0 m-85 -65.82 -41.84 91.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.876 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -65.39 -33.04 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.857 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.32 91.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.595 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tp -47.12 149.87 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.476 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.522 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -167.83 133.46 2.9 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' B' ' 24' ' ' GLY . 46.2 t0 57.97 117.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 1.0 110.709 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -56.69 -20.98 24.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.758 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.438 ' OD1' ' NH2' ' B' ' 30' ' ' ARG . 55.9 t30 -59.29 -15.52 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.701 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.522 ' NH1' ' O ' ' B' ' 24' ' ' GLY . 0.0 OUTLIER -66.9 -35.3 79.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.539 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.95 -52.71 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.438 ' NH2' ' OD1' ' B' ' 27' ' ' ASN . 57.7 ttp180 -42.21 -46.09 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.062 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.38 -51.8 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.55 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 23.8 ttt -45.95 -31.71 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.766 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.98 -55.24 11.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.732 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.75 -37.72 85.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.36 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.4 tp -65.09 -21.57 66.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.332 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.7 t -77.92 -12.92 60.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.497 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.417 ' O ' ' OG ' ' B' ' 38' ' ' SER . 45.4 t -83.92 -40.66 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.63 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 59.7 m -167.22 -121.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.658 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.04 171.22 11.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 1.0 110.621 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.15 -178.16 6.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.438 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.482 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 9.5 p -70.76 165.95 21.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.495 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -66.31 -38.35 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.093 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -86.03 -57.67 2.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.478 -0.649 . . . . 1.0 111.478 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.712 ' HD1' ' H ' ' B' ' 44' ' ' HIS . 0.2 OUTLIER -40.67 -48.72 2.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.812 0.339 . . . . 1.0 111.167 -178.394 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 15.5 tt -57.59 -33.99 46.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.44 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.484 ' N ' ' O ' ' B' ' 43' ' ' GLY . 10.1 m -71.2 -73.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.39 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -47.42 -47.82 26.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.141 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -51.83 -51.56 55.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.04 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.4 mt -83.4 10.09 9.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.417 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 59.73 67.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 1.0 110.952 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 83.2 mt -138.54 149.17 45.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.989 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.521 ' C ' ' H ' ' B' ' 54' ' ' SER . 15.1 t -78.65 116.82 19.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.442 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -58.35 -2.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.02 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.521 ' H ' ' C ' ' B' ' 52' ' ' SER . 30.5 t -86.23 -28.02 24.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.51 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.68 -44.22 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.999 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' B' ' 59' ' ' GLN . 21.2 m -43.74 -55.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.118 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.48 ' H ' ' CG2' ' B' ' 56' ' ' VAL . 73.4 m -40.15 -38.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.304 . . . . 1.0 111.288 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -80.6 -29.33 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.783 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' B' ' 56' ' ' VAL . 24.9 mt-30 -62.36 -72.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.451 -0.34 . . . . 1.0 111.148 -178.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.4 -50.13 63.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.034 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -44.04 -63.7 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.332 -0.394 . . . . 1.0 111.091 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 tp -40.4 -52.42 2.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.534 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 7.4 mp -66.78 -42.98 85.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.659 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.18 -17.79 63.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.942 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.4 m -81.35 -44.24 17.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.268 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.9 m -76.36 12.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.055 -0.258 . . . . 1.0 111.285 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 70.06 17.05 7.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.325 0.491 . . . . 1.0 112.325 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.22 -83.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.586 -0.446 . . . . 1.0 110.044 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 m -78.0 160.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.793 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -130.21 -164.95 1.47 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.081 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -163.89 -165.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.97 0.415 . . . . 1.0 110.712 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -146.17 135.83 23.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.194 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -78.07 118.69 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.806 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -140.81 103.69 4.55 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.31 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.86 -134.69 46.65 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.44 ' CD ' ' N ' ' B' ' 76' ' ' GLN . 3.6 mp0 -87.23 -15.31 38.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.771 0.32 . . . . 1.0 110.703 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.507 ' OG ' ' N ' ' B' ' 78' ' ' MET . 14.3 t -101.72 -174.85 2.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.31 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.527 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -154.35 119.02 4.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.977 0.418 . . . . 1.0 109.964 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.7 mm -82.68 110.74 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.94 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -74.88 138.92 42.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.434 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.4 p -157.76 160.6 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.541 ' N ' ' CD2' ' B' ' 82' ' ' LEU . 2.8 mm? -81.1 -167.71 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.968 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -157.15 -61.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.34 103.15 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.58 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.58 -20.18 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.598 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.609 ' HD1' ' H ' ' B' ' 86' ' ' HIS . 1.3 m80 -50.75 -40.76 55.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.647 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.3 t -78.11 -47.29 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.843 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.95 -51.34 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.862 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 12.3 t -70.86 -33.87 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.876 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' MET . . . . . 0.449 ' O ' ' SD ' ' B' ' 90' ' ' MET . 1.6 tmt? -57.45 -27.98 62.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.502 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 33.4 tp -80.15 -34.49 37.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.062 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -59.35 -60.59 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.767 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -55.94 -28.07 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.714 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.64 -49.35 63.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.95 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.4 mt -77.51 -8.81 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.989 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -81.64 -40.03 23.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 1.0 110.601 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.639 -179.647 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.886 0.375 . . . . 1.0 110.357 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -108.35 -53.07 2.68 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.817 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 tp -69.6 -31.75 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.347 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 17' ' ' THR . 76.6 tt0 -54.6 -14.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.732 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -77.09 -59.12 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.952 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.416 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 23.5 m -61.39 -15.5 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.774 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 33.5 p -78.5 -39.17 38.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.545 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.05 -26.44 68.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.587 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.62 -67.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.812 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 20.0 m-85 -56.34 -42.27 77.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.356 . . . . 1.0 111.022 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -57.84 -33.26 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.721 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.58 88.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.731 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -55.38 157.99 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.5 -91.94 0.08 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.718 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 70.3 m-20 -57.76 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.317 . . . . 1.0 110.502 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.469 ' C ' ' H ' ' A' ' 28' ' ' ARG . 34.2 t80 -99.81 -44.34 6.11 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.344 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -64.67 3.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.388 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.718 ' HE ' ' H ' ' A' ' 25' ' ' ASP . 34.8 mmt180 -50.62 -55.2 17.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 1.0 110.92 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.77 -33.02 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.478 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -47.04 -73.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.909 -0.317 . . . . 1.0 111.086 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 pt -54.72 -37.98 41.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.881 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.3 ttt -53.92 -31.59 50.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.634 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.47 -25.86 59.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.986 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 tp -77.34 -41.9 38.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.886 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.77 -24.82 66.24 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.66 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.8 p -64.21 -21.57 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.793 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 38' ' ' SER . 15.6 m -160.05 55.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.765 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.6 m 163.26 98.66 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.161 -0.311 . . . . 1.0 110.161 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -84.84 152.86 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.204 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.25 179.69 7.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 1.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.5 p -83.02 -173.34 4.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.366 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.2 t -78.44 -38.17 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.106 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.27 -60.62 2.35 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.313 -0.715 . . . . 1.0 111.313 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -43.08 -55.37 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.712 0.292 . . . . 1.0 111.081 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.2 tt -53.82 -35.3 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.316 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 51' ' ' LEU . 9.2 t -76.29 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.028 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -52.09 -50.15 62.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.05 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.516 ' C ' ' H ' ' A' ' 50' ' ' ASN . 30.7 mt-30 -55.69 -62.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.03 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 49' ' ' LEU . 7.4 mp -65.01 6.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.908 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.516 ' H ' ' C ' ' A' ' 48' ' ' GLN . 5.2 m120 62.14 31.24 17.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.547 0.213 . . . . 1.0 111.506 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' O ' ' OG ' ' A' ' 46' ' ' SER . 32.8 mt -103.52 150.84 23.53 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 54' ' ' SER . 43.2 m -78.16 111.59 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.497 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -56.16 -5.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 52' ' ' SER . 7.8 t -78.88 -42.27 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.416 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.64 -36.7 32.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.583 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 59' ' ' GLN . 98.0 t -46.0 -64.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.685 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 p -43.09 -45.6 5.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.927 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -70.84 -32.16 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.361 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 56' ' ' VAL . 7.9 tt0 -64.05 -59.53 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.817 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.78 -39.01 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.722 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -45.67 -60.85 1.97 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.515 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 tp -46.7 -66.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.548 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.433 ' H ' ' CD1' ' A' ' 63' ' ' LEU . 9.9 mp -45.11 -51.81 9.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.632 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -52.83 -61.46 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.802 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 t -53.88 -30.6 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.496 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.4 t -79.92 -6.36 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.732 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 70.17 19.33 6.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.943 0.401 . . . . 1.0 110.762 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.25 -0.67 46.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.14 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -155.19 148.94 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.38 . . . . 1.0 110.829 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -104.98 122.12 45.17 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.241 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 170.07 11.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.877 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -154.96 134.8 12.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.431 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -90.99 114.67 27.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 76' ' ' GLN . 41.0 mt-30 -139.2 133.95 32.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.906 0.384 . . . . 1.0 110.699 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.35 -73.65 0.09 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.202 -0.759 . . . . 1.0 111.202 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 74' ' ' GLN . 47.5 tt0 -157.67 -56.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.607 ' HG ' ' H ' ' A' ' 78' ' ' MET . 37.8 t -63.49 -167.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.639 . . . . 1.0 109.549 177.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.607 ' H ' ' HG ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -131.31 101.71 5.67 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.0 mm -75.77 111.26 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.699 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -76.52 140.16 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.516 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.4 p -152.99 147.92 26.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.543 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -70.98 -167.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.678 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -160.09 -34.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.395 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.85 141.53 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.555 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.2 mm -103.5 -19.34 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.407 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 89' ' ' THR . 7.2 m170 -79.48 -41.33 27.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.983 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.1 t -43.56 -37.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.119 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.04 -29.72 43.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.772 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 86' ' ' HIS . 86.4 m -78.26 -45.0 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.07 -178.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.6 ptm -69.65 -25.76 64.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.076 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.5 tp -71.1 -64.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 1.0 110.351 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -47.62 -30.4 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.147 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -63.27 -33.84 76.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.59 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 -41.25 76.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.377 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.554 ' CD1' ' N ' ' A' ' 95' ' ' ILE . 1.6 mp -78.9 -9.0 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.913 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -77.52 -31.98 53.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.553 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.663 -179.909 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.604 0.24 . . . . 1.0 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -71.27 -70.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 1.0 110.728 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -48.74 -52.06 25.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.251 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 17' ' ' THR . 32.9 mt-10 -47.33 -55.15 9.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.744 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -46.74 -41.29 14.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.759 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 -22.53 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.011 0.434 . . . . 1.0 110.493 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.473 ' N ' ' O ' ' B' ' 14' ' ' GLU . 15.5 m -85.48 -14.16 46.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.492 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -81.34 -34.29 31.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.755 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 13.1 pt -69.12 -37.76 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.753 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -67.57 -44.78 77.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.156 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -65.98 -16.68 64.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.026 0.441 . . . . 1.0 110.23 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -47.31 86.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.769 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.402 ' H ' ' CD1' ' B' ' 23' ' ' LEU . 9.7 mp -49.74 164.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.059 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.71 -99.73 0.14 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.73 -0.948 . . . . 1.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.24 114.24 10.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.277 . . . . 1.0 110.264 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -51.96 -16.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.397 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.546 HD21 ' N ' ' B' ' 28' ' ' ARG . 0.4 OUTLIER -77.97 -12.08 59.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 1.0 110.956 -179.064 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.546 ' N ' HD21 ' B' ' 27' ' ' ASN . 5.9 ptm85 -65.87 -23.27 66.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.858 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 91.2 mt -77.39 -49.05 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.762 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -41.33 -43.73 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.153 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 87.3 mt -58.89 -44.7 91.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.607 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 34.1 tpp -59.35 -29.43 67.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.553 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -66.24 -30.53 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.969 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 tp -94.15 -37.37 11.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.859 0.361 . . . . 1.0 110.499 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -69.69 -45.38 68.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.481 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 47.6 t -58.27 -25.08 61.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.914 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 99.0 t -75.66 -30.36 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.543 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 39.3 t -168.52 -119.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.64 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -170.22 162.3 8.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.829 0.347 . . . . 1.0 110.501 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.74 -177.99 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.53 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.524 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 3.3 p -68.52 162.97 24.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.285 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.01 -40.33 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.116 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.426 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -81.46 -48.65 5.83 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.601 -0.6 . . . . 1.0 111.601 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.524 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 0.3 OUTLIER -42.78 -37.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.607 0.241 . . . . 1.0 111.328 -177.656 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -69.74 -30.68 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.511 -0.313 . . . . 1.0 111.288 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.526 ' HG ' ' N ' ' B' ' 47' ' ' HIS . 88.2 p -72.44 -59.1 2.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.445 -0.343 . . . . 1.0 111.4 -177.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.526 ' N ' ' HG ' ' B' ' 46' ' ' SER . 40.9 t-80 -68.64 -53.64 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.307 -177.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.41 ' C ' ' H ' ' B' ' 50' ' ' ASN . 9.1 tm0? -51.43 -48.97 62.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.925 -177.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.04 11.24 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.889 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 50' ' ' ASN . 17.3 t-20 62.66 51.28 3.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.625 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -126.24 153.31 44.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.036 0.446 . . . . 1.0 110.305 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.532 ' C ' ' H ' ' B' ' 54' ' ' SER . 36.2 p -79.37 120.0 23.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.179 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.56 1.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.425 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.532 ' H ' ' C ' ' B' ' 52' ' ' SER . 8.6 t -82.87 -25.6 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.692 0.282 . . . . 1.0 110.867 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -100.41 -29.02 12.63 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.512 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.571 ' CG1' ' H ' ' B' ' 57' ' ' SER . 10.8 p -45.27 -62.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.052 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.571 ' H ' ' CG1' ' B' ' 56' ' ' VAL . 5.7 m -43.08 -36.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 1.0 111.159 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -71.6 -31.03 66.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.95 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' B' ' 56' ' ' VAL . 25.3 mm100 -63.02 -71.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.111 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 mt -44.62 -54.27 6.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.51 -0.314 . . . . 1.0 111.168 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -41.71 -56.69 2.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 1.0 111.104 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.25 -67.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.343 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 17.7 mt -45.75 -51.04 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.065 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -46.59 -69.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.044 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.487 ' C ' ' H ' ' B' ' 67' ' ' HIS . 52.1 p -43.83 -55.09 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.279 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 26.6 t -53.02 -8.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.718 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.487 ' H ' ' C ' ' B' ' 65' ' ' SER . 18.1 t60 71.43 18.5 5.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.451 177.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.06 -15.85 59.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.72 135.09 17.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.26 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -96.48 156.74 16.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.205 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.65 160.37 17.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.467 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.89 118.04 12.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.862 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.528 ' O ' ' NE ' ' B' ' 73' ' ' ARG . 3.0 tmm_? -109.08 81.13 1.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.123 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' B' ' 75' ' ' GLY . 12.9 tm0? -106.37 96.51 6.52 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.568 -0.901 . . . . 1.0 108.568 176.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 74' ' ' GLN . . . 61.72 125.4 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 109.733 -1.347 . . . . 1.0 109.733 -175.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' B' ' 75' ' ' GLY . 9.3 tt0 -29.23 95.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.436 0.532 . . . . 1.0 112.436 -176.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -178.05 111.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.208 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.7 mpt? -59.42 106.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.041 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 93.3 mt -134.21 118.87 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -99.64 139.61 35.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.713 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.538 ' HG ' ' N ' ' B' ' 82' ' ' LEU . 23.0 t -155.48 158.83 39.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.709 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.538 ' N ' ' HG ' ' B' ' 81' ' ' SER . 7.1 mp -81.79 -173.2 4.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.247 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -161.27 -47.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.515 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' B' ' 85' ' ' ILE . 48.8 t0 -52.66 157.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.55 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.459 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 17.6 pt -110.72 -8.65 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.195 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -79.39 -41.74 27.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.797 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.01 -52.83 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.767 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.65 -48.78 66.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.057 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' B' ' 90' ' ' MET . 36.9 p -74.35 -52.68 11.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.873 -178.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' MET . . . . . 0.618 ' H ' ' HG1' ' B' ' 89' ' ' THR . 25.1 ttt -40.44 -40.64 1.25 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.481 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -70.76 -53.23 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 1.0 110.455 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.526 ' O ' ' CD2' ' B' ' 96' ' ' HIS . 53.7 mttp -54.49 -45.38 73.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.748 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -52.96 -37.77 61.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.872 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.74 -46.54 62.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.962 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.7 mt -78.48 -8.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.951 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' B' ' 92' ' ' LYS . 21.2 m170 -82.15 -37.04 26.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 1.0 110.325 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.527 179.888 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.808 0.337 . . . . 1.0 110.634 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 p -80.72 -63.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.701 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.56 -36.31 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.801 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.86 -54.0 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.959 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -47.4 -52.3 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.961 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.36 -10.78 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.23 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -70.75 -22.32 62.42 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.159 -0.617 . . . . 1.0 109.857 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -86.89 -56.23 3.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.409 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 20' ' ' PHE . 13.4 tt -46.89 -48.77 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.854 -0.338 . . . . 1.0 111.541 -175.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.46 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 49.1 m-85 -69.92 -40.62 75.44 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.683 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -71.05 -7.32 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 1.0 110.606 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.517 ' C ' ' H ' ' A' ' 24' ' ' GLY . . . -84.83 -41.98 15.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.365 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.8 pp -72.78 25.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.903 -0.319 . . . . 1.0 111.457 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' A' ' 22' ' ' ALA . . . -65.72 67.79 0.12 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.217 -0.753 . . . . 1.0 111.217 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.52 ' OD2' ' N ' ' A' ' 28' ' ' ARG . 26.0 t70 -173.58 86.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 1.0 110.38 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -55.44 -18.05 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.246 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -82.19 -17.29 46.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 1.0 110.779 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.52 ' N ' ' OD2' ' A' ' 25' ' ' ASP . 20.2 tpt180 -68.07 -55.8 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.988 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 30' ' ' ARG . 20.5 tt -43.24 -49.03 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.192 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 75.0 ttt180 -46.02 -37.27 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 1.0 110.631 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' LEU . 27.7 mt -75.54 -55.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.559 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.426 ' O ' ' OG ' ' A' ' 36' ' ' SER . 70.0 mtp -45.99 -38.08 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.634 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -68.32 -33.68 74.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.573 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -78.42 -42.8 29.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 1.0 109.966 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.93 -16.35 64.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.221 0.534 . . . . 1.0 109.817 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 32' ' ' MET . 71.9 m -71.27 -15.81 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.7 m -156.1 65.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.862 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -155.74 -65.08 0.12 Allowed 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.968 -0.293 . . . . 1.0 111.609 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 61.51 103.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.762 -0.459 . . . . 1.0 109.762 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.73 -176.34 5.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.906 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -68.75 173.72 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.322 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -78.41 -41.18 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.885 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.22 -46.39 8.21 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.168 -0.773 . . . . 1.0 111.168 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.415 ' HD1' ' N ' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -46.79 -62.19 1.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.921 0.391 . . . . 1.0 110.704 -179.352 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.2 tt -53.44 -30.61 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.395 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.7 t -75.69 -40.15 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.777 -0.369 . . . . 1.0 111.425 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.552 ' HE2' ' NE2' ' A' ' 53' ' ' GLN . 38.1 m170 -59.82 -57.81 11.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.889 -176.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.5 -42.55 99.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.46 -0.336 . . . . 1.0 111.462 -175.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.89 -1.87 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.505 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 58.58 65.73 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.982 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.8 mt -137.57 151.48 48.41 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.015 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 t -76.61 109.64 10.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.214 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.552 ' NE2' ' HE2' ' A' ' 47' ' ' HIS . 33.2 mt-30 -41.82 -52.52 3.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.917 0.389 . . . . 1.0 111.325 -178.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.516 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 36.3 p -42.98 -45.66 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.033 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -71.2 -37.15 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.63 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 59' ' ' GLN . 64.5 t -60.94 -71.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.754 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.2 t -45.25 -37.2 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.814 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' SER . 52.8 m170 -73.7 -24.38 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.566 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' VAL . 66.3 tp60 -70.37 -48.14 57.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.504 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.34 -41.8 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -45.98 -66.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.662 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.6 tp -49.08 -69.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.393 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tp -45.07 -45.97 11.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.413 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -47.0 -54.4 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 1.0 111.161 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 40.7 t -56.52 -17.86 9.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.321 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 4.2 t -81.27 -9.73 12.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.692 -0.231 . . . . 1.0 110.863 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 65' ' ' SER . 1.2 m170 75.0 19.38 2.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.6 -0.273 . . . . 1.0 111.706 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.8 mt -92.39 -2.71 56.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.561 0.219 . . . . 1.0 110.962 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -154.55 149.41 12.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.954 0.407 . . . . 1.0 110.664 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -114.45 -165.26 1.0 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.913 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.91 125.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.998 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -88.02 132.54 34.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.41 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -78.42 118.86 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.854 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -138.2 118.88 14.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.135 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.2 -143.77 15.03 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.618 -0.993 . . . . 1.0 110.618 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.562 ' NE2' ' H ' ' A' ' 76' ' ' GLN . 3.2 mp0 -76.04 -30.62 58.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.665 0.269 . . . . 1.0 110.917 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -88.77 -168.24 2.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.888 0.375 . . . . 1.0 110.899 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -158.19 123.92 4.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.741 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.557 ' N ' ' CD1' ' A' ' 79' ' ' ILE . 1.6 mp -89.36 117.65 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.132 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -76.27 155.86 33.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.531 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.604 ' HG ' ' N ' ' A' ' 82' ' ' LEU . 14.2 t -170.29 155.35 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.68 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.604 ' N ' ' HG ' ' A' ' 81' ' ' SER . 16.2 mt -70.53 -149.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.354 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 4.8 p-10 -171.87 -67.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.471 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.516 ' H ' ' CG ' ' A' ' 83' ' ' ASP . 12.0 m-20 -78.36 108.15 11.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.507 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.6 pt -71.01 8.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.485 ' H ' ' C ' ' A' ' 84' ' ' ASP . 1.2 t-80 -57.92 -64.91 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.674 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 90' ' ' MET . 27.0 m -64.55 -45.61 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.883 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.63 -48.36 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 1.0 110.936 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.3 p -76.53 -12.79 60.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' VAL . 12.6 tpt -79.54 -33.62 41.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.032 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.3 mp -70.21 -49.94 45.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -54.22 -42.94 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.553 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.0 -26.61 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.473 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.8 -52.29 15.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.698 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.535 ' CD1' ' N ' ' A' ' 95' ' ' ILE . 1.5 mp -71.76 -8.75 11.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.9 -55.84 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.497 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.488 179.885 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.359 . . . . 1.0 110.669 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 64.5 m -67.43 -60.54 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.292 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' B' ' 17' ' ' THR . 0.5 OUTLIER -92.42 -8.45 44.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.613 0.244 . . . . 1.0 110.825 -179.347 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -58.11 -38.38 76.35 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.666 -0.413 . . . . 1.0 110.285 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -52.35 -58.76 5.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.659 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.7 p -66.32 -16.01 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.597 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 13' ' ' LEU . 6.8 m -79.35 -19.41 50.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 1.0 110.544 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -80.15 -42.56 23.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.094 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 pt -64.63 -35.15 73.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.144 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -65.51 -43.76 89.08 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.197 -0.601 . . . . 1.0 109.516 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -45.38 -45.57 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.766 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.4 -29.69 70.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.747 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.07 140.12 53.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.888 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.11 179.88 31.49 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 60.13 85.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.711 0.291 . . . . 1.0 110.81 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -42.02 -28.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.485 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -63.96 -9.17 14.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.722 0.296 . . . . 1.0 111.308 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.542 ' NH1' ' SD ' ' B' ' 32' ' ' MET . 72.1 ttt-85 -64.52 -68.74 0.33 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.059 -178.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 79.3 mt -42.65 -50.4 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.103 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -40.08 -69.74 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.444 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 pt -68.9 -39.94 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.19 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' MET . . . . . 0.542 ' SD ' ' NH1' ' B' ' 28' ' ' ARG . 8.6 ttt -54.76 -38.85 67.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.781 -0.368 . . . . 1.0 110.589 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -65.46 -64.01 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.706 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.16 -31.99 67.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.805 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.9 tp -69.09 -16.5 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 1.0 110.344 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -70.26 -15.25 62.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.434 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 6.4 m -153.81 64.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.256 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 34.9 p -163.69 -173.43 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.676 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -174.96 117.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.23 -177.71 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.62 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 20.7 m -71.58 172.82 8.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.078 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.5 m -78.7 -31.4 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.663 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.81 -57.67 2.25 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -43.05 -52.01 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 1.0 111.1 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 16.2 tt -51.78 -32.42 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.888 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.6 t -71.49 -70.62 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.086 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -45.05 -48.13 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.914 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -53.4 -59.41 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.111 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.1 mt -74.33 9.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.034 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.504 ' N ' ' OD1' ' B' ' 50' ' ' ASN . 0.8 OUTLIER 61.71 64.87 0.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.695 0.283 . . . . 1.0 111.064 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 30.8 mt -133.76 144.37 49.02 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.904 -0.406 . . . . 1.0 109.904 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.524 ' C ' ' H ' ' B' ' 54' ' ' SER . 32.3 t -79.29 117.21 20.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.589 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -58.57 -0.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.296 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.524 ' H ' ' C ' ' B' ' 52' ' ' SER . 14.0 t -73.2 -44.54 59.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 1.0 110.478 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' B' ' 59' ' ' GLN . 62.6 t30 -85.36 -33.61 21.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.88 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' B' ' 59' ' ' GLN . 94.7 t -42.91 -77.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.115 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.9 t -39.28 -40.4 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.536 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -79.07 -27.24 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.677 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.6 OUTLIER -67.59 -50.63 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.696 -178.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.93 -48.14 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 1.0 110.498 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -43.24 -48.29 6.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.784 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.99 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.057 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.439 ' CD1' HE22 ' B' ' 59' ' ' GLN . 28.7 mt -42.32 -52.8 4.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -44.35 -64.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.126 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.9 m -50.07 -34.72 22.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.333 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.459 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 26.5 t -77.69 -4.8 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.8 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.459 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 4.3 m80 76.28 19.94 1.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.867 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 43.3 mt -85.41 -19.36 31.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.601 0.238 . . . . 1.0 110.632 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 m -149.47 143.54 18.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.522 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -106.84 -166.06 1.13 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.154 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -166.86 170.03 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.616 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -150.18 139.79 21.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.367 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -83.18 115.64 22.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.63 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' B' ' 76' ' ' GLN . 17.8 tt0 -140.79 139.86 34.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.378 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.88 -79.29 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' B' ' 74' ' ' GLN . 1.6 pm0 -159.4 -41.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.479 ' O ' ' SD ' ' B' ' 78' ' ' MET . 18.8 p -64.69 -167.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.912 177.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.479 ' SD ' ' O ' ' B' ' 77' ' ' SER . 10.9 mmt -139.57 105.02 5.07 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' B' ' 79' ' ' ILE . 1.6 mp -79.23 112.07 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.222 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -81.17 142.43 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.373 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 15.3 t -164.33 123.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.649 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' B' ' 82' ' ' LEU . 0.7 OUTLIER -74.32 -167.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.611 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -151.43 -31.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.595 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -70.43 82.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.473 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 26.2 pt -75.39 2.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.451 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -79.07 -54.03 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.648 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 10.5 m -62.04 -30.11 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.705 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.53 -49.95 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.498 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 49.3 p -67.63 -46.48 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 62.4 mtt -45.61 -31.85 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.626 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' B' ' 94' ' ' ALA . 15.1 tp -78.97 -61.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.184 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -45.83 -34.76 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.591 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -70.78 -30.14 66.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.462 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -70.96 -38.93 72.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.628 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.8 mm -78.27 -9.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.859 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -88.75 -35.57 16.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.737 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.69 -179.219 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.1 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.774 0.321 . . . . 1.0 110.367 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.0 m -85.19 -50.55 7.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.166 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 17' ' ' THR . 17.9 mt -87.53 -7.03 58.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.133 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.67 -38.38 72.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.932 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -76.22 -48.07 21.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.97 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 t -67.83 -22.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 1.0 110.48 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 13' ' ' LEU . 53.4 m -75.19 -30.4 60.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.369 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.8 -27.52 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.543 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.5 mt -64.55 -57.41 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.46 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 63.8 m-85 -52.08 -41.54 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.929 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' NZ ' ' CE2' ' B' ' 26' ' ' TYR . 91.9 mttt -81.47 0.51 37.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.976 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -57.33 11.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.346 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -62.34 -167.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.853 -177.54 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -169.86 -108.51 0.21 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.806 -0.917 . . . . 1.0 110.806 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.92 112.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 1.0 110.419 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.504 ' C ' ' H ' ' A' ' 28' ' ' ARG . 14.2 m-85 -39.46 -34.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.773 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.518 ' ND2' ' OE1' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -59.89 -1.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.864 -0.335 . . . . 1.0 110.881 -179.205 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 26' ' ' TYR . 4.3 tmt_? -58.89 -49.46 77.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.344 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.37 -45.05 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.764 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -52.44 -72.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 32' ' ' MET . 21.2 tt -51.85 -43.57 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.952 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.462 ' SD ' ' CZ ' ' A' ' 28' ' ' ARG . 28.0 ttt -63.26 -19.55 64.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.853 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -69.19 -70.6 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.084 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -52.76 -30.94 35.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.63 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 37' ' ' VAL . 0.8 OUTLIER -64.85 -28.27 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.576 -0.528 . . . . 1.0 109.576 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -50.98 -16.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.193 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.429 ' O ' ' OG ' ' A' ' 38' ' ' SER . 6.4 p -163.91 73.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.625 0.726 . . . . 1.0 110.393 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 27.8 m -171.72 165.11 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.511 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -155.08 121.05 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.165 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.96 -177.64 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.701 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 m -80.32 -170.9 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.335 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.27 -44.9 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.48 -26.91 68.75 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.75 -30.72 70.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 1.0 110.375 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.4 mm -61.79 -28.98 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.853 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 50' ' ' ASN . 13.4 t -71.35 -69.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.082 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -54.44 -50.28 68.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.994 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -40.04 -66.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.48 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.61 23.54 12.62 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.583 0.216 . . . . 1.0 111.583 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 46' ' ' SER . 47.9 t-20 57.73 96.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.299 177.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 46' ' ' SER . 58.0 tp -164.38 152.23 12.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.951 177.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 54' ' ' SER . 23.8 p -78.9 107.45 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.653 0.263 . . . . 1.0 110.662 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.14 0.65 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.718 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.511 ' H ' ' C ' ' A' ' 52' ' ' SER . 10.5 m -73.11 -48.03 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.621 ' ND2' ' N ' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -80.74 -30.47 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.727 -179.731 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.621 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 84.9 t -46.55 -75.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.614 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -43.34 -41.84 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.966 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 58.8 t-80 -70.53 -24.12 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.749 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.518 ' OE1' ' ND2' ' A' ' 27' ' ' ASN . 15.9 tt0 -79.34 -38.55 34.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.392 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.92 -47.76 81.85 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.029 -0.269 . . . . 1.0 111.203 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' NZ ' ' CB ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -44.75 -41.94 7.31 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.924 -0.31 . . . . 1.0 110.603 -178.342 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -59.76 -70.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.051 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.7 mt -41.67 -54.66 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.987 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -51.06 -49.89 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.169 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -57.62 -34.76 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.253 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.4 t -77.79 -1.5 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.085 -0.246 . . . . 1.0 110.845 -177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 t60 74.46 22.68 2.08 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.971 0.359 . . . . 1.0 111.971 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.2 mt -94.34 -14.22 25.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.553 0.215 . . . . 1.0 110.864 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.5 t -149.0 139.19 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.932 0.396 . . . . 1.0 110.719 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -110.07 -178.28 3.48 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.205 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.85 172.38 7.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.4 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -155.34 153.75 30.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.816 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -104.4 118.38 36.47 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.9 -0.591 . . . . 1.0 109.888 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -160.81 59.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.422 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.48 72.91 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.072 -1.211 . . . . 1.0 110.072 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 54.17 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 1.0 110.238 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -63.88 161.26 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.945 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -112.33 128.94 56.43 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.985 -0.376 . . . . 1.0 109.985 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.8 mt -86.44 124.19 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.46 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -83.99 150.73 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.693 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.8 t -157.06 148.23 21.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.653 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.94 -156.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.547 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 2.6 p-10 -165.92 -69.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.633 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.521 ' H ' ' CG ' ' A' ' 83' ' ' ASP . 22.2 p-10 -70.81 100.18 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.678 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.8 pt -68.68 9.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.669 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.52 ' H ' ' C ' ' A' ' 84' ' ' ASP . 60.0 t60 -76.04 -26.93 57.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.725 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -78.74 -32.72 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.729 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.67 -53.51 18.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.773 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.3 t -71.98 -51.21 23.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.702 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.3 ttt -39.14 -41.92 0.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.633 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.77 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 1.0 110.481 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.695 ' HZ2' ' HE2' ' A' ' 96' ' ' HIS . 44.6 tttp -49.47 -38.11 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.255 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -75.65 -42.19 52.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 1.0 111.268 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.77 -34.51 71.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.24 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.3 tt -80.77 -10.06 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.939 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.695 ' HE2' ' HZ2' ' A' ' 92' ' ' LYS . 28.7 m170 -74.69 -60.06 2.45 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.676 -0.49 . . . . 1.0 109.676 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.494 179.719 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 C--O 1.23 0.076 0 N-CA-C 109.738 -0.467 . . . . 1.0 109.738 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.0 m -66.62 -59.85 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.306 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.418 ' O ' ' OG1' ' B' ' 17' ' ' THR . 17.9 mt -65.54 -30.64 71.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.345 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -58.01 -25.95 61.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.611 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -60.74 -66.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.424 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.405 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 12.1 m -57.91 -14.07 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.607 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 13' ' ' LEU . 4.9 m -82.24 -18.09 43.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.461 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -77.48 -36.49 52.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.842 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.2 pt -69.16 -37.5 76.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.237 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 59.9 m-85 -71.39 -39.7 71.0 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.243 -0.583 . . . . 1.0 110.36 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -69.0 -8.14 42.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.664 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.77 -51.82 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.958 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.98 156.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.958 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' B' ' 25' ' ' ASP . . . -169.82 163.51 36.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.628 -0.989 . . . . 1.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 24' ' ' GLY . 42.4 m-20 48.81 -179.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 1.0 110.564 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 7.0 m-85 -99.69 -53.22 3.25 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.725 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.516 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 3.3 t30 -69.91 2.62 3.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.615 -176.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -60.26 -49.72 76.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.754 -0.378 . . . . 1.0 110.988 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' B' ' 30' ' ' ARG . 19.9 tt -67.56 -43.51 87.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.983 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.43 ' N ' ' CG2' ' B' ' 29' ' ' ILE . 82.9 mtp180 -46.1 -32.09 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.805 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.414 ' CD1' ' OE1' ' B' ' 59' ' ' GLN . 96.0 mt -63.23 -61.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 1.0 110.487 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 49.0 mtt -49.61 -29.53 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.851 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.9 -30.44 58.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.857 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.42 ' O ' ' OG ' ' B' ' 38' ' ' SER . 10.4 tp -76.24 -40.41 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.62 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 mt -72.22 -20.53 61.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.553 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 20.3 t -60.57 -19.99 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.395 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.423 ' O ' ' OG ' ' B' ' 38' ' ' SER . 13.3 m -157.15 58.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.259 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 5.1 m -167.23 171.75 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.604 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -156.08 122.07 5.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.171 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.07 179.11 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.668 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.9 t -77.93 -179.62 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.318 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.4 m -79.13 -35.49 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.6 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.01 -46.76 8.08 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -47.09 -69.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 1.0 110.523 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 13.3 tt -44.72 -36.09 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -71.46 -48.36 49.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.071 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.411 ' C ' ' ND1' ' B' ' 47' ' ' HIS . 18.3 t-80 -74.57 -50.73 16.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.804 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.415 ' C ' ' H ' ' B' ' 50' ' ' ASN . 28.6 mt-30 -54.71 -49.81 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.098 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 tp -74.77 10.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.012 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' B' ' 48' ' ' GLN . 13.4 m-80 61.74 52.39 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.553 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -124.16 148.42 47.24 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 176.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.523 ' C ' ' H ' ' B' ' 54' ' ' SER . 14.9 t -77.32 118.06 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.313 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -54.98 -4.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.357 . . . . 1.0 111.255 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.523 ' H ' ' C ' ' B' ' 52' ' ' SER . 12.3 t -83.69 -11.59 57.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.34 . . . . 1.0 110.589 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -102.38 -50.27 3.65 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.108 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.606 ' CG1' ' H ' ' B' ' 57' ' ' SER . 8.8 p -49.48 -64.93 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.958 -176.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.606 ' H ' ' CG1' ' B' ' 56' ' ' VAL . 79.6 p -42.28 -51.2 4.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 1.0 111.1 -178.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.462 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 22.6 t-80 -66.97 -25.93 66.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.603 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' B' ' 56' ' ' VAL . 42.1 tt0 -69.67 -55.68 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.166 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 44.2 mt -51.36 -41.86 60.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 1.0 110.92 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -43.11 -59.13 2.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.066 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.94 -72.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.488 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.475 ' CD1' ' H ' ' B' ' 63' ' ' LEU . 10.1 mp -37.94 -56.28 1.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.362 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -44.98 -36.47 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.087 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.514 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 25.8 p -75.58 -25.87 57.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.066 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.425 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 3.9 t -77.91 -7.51 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.936 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' B' ' 65' ' ' SER . 6.8 m-70 73.45 19.71 3.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.566 0.222 . . . . 1.0 111.483 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 35.1 mt -92.98 -11.11 34.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.648 -0.251 . . . . 1.0 110.756 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 23.3 m -149.48 143.92 18.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.891 0.377 . . . . 1.0 110.74 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -121.3 -163.74 1.07 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.101 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.03 177.76 4.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 1.0 111.094 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -154.93 149.15 26.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.349 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -79.21 110.53 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.815 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' B' ' 75' ' ' GLY . 0.5 OUTLIER -122.34 89.64 3.15 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.157 -0.474 . . . . 1.0 109.956 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 52.72 109.5 0.01 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.467 ' CD ' ' N ' ' B' ' 77' ' ' SER . 3.7 tm0? 53.38 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 1.0 110.976 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 75' ' ' GLY . 97.1 p -66.65 -168.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.777 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.3 mtt -146.97 119.96 8.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.068 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 91.2 mt -82.25 120.09 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.786 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -82.11 151.64 26.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.424 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.7 p -170.21 159.1 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tp -65.45 -157.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -173.93 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 1.0 110.797 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.23 110.19 13.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.937 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.46 -24.47 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.529 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -61.07 -63.66 1.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.607 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 90.1 t -54.15 -52.15 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.483 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.39 -49.82 6.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.935 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.9 m -70.79 -31.31 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.877 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.1 tpt -51.96 -32.78 34.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.765 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' B' ' 94' ' ' ALA . 10.3 mp -76.79 -50.6 13.13 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' B' ' 96' ' ' HIS . 31.5 mmtm -44.83 -45.47 10.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.633 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.75 -28.81 67.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -69.54 -53.93 16.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.127 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' B' ' 95' ' ' ILE . 1.6 mp -69.05 -7.27 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' B' ' 92' ' ' LYS . 40.0 m170 -84.96 -33.97 22.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.332 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 76.9 t60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.736 -179.842 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 62.0 t0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.715 0.293 . . . . 1.0 110.65 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -65.68 -58.84 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.692 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tp -65.11 -36.13 83.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.534 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -55.58 -35.87 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.979 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -72.87 -43.82 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.402 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.6 -23.7 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.717 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.42 ' H ' ' HG1' ' A' ' 17' ' ' THR . 17.8 p -82.3 -21.06 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.309 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.23 -22.25 48.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.51 -68.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.656 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -53.26 -36.93 61.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.869 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -70.86 -19.5 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.631 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.9 25.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.405 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 9.9 mp -63.38 175.02 1.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.107 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.73 -117.27 0.69 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.09 149.7 49.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.734 0.302 . . . . 1.0 110.672 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -51.2 -20.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.862 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 1.4 m120 -78.43 -19.61 52.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.994 -178.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -58.14 -71.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.027 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.481 ' C ' ' H ' ' A' ' 31' ' ' ILE . 19.2 tt -39.54 -43.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.87 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -46.91 -14.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 1.0 111.092 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 29' ' ' ILE . 4.1 tp -71.96 -36.69 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 1.0 110.456 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 43.4 ttm -74.74 -39.51 61.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.868 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -51.27 -48.7 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.994 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -78.64 -40.81 33.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.786 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.9 tp -66.79 -26.08 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.659 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.9 p -70.01 -17.76 63.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.704 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.418 ' O ' ' OG ' ' A' ' 38' ' ' SER . 63.4 t -84.83 -46.6 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.881 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 12.9 m -167.4 -147.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.821 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -138.67 159.53 41.87 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.227 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.92 -179.56 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.733 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.6 t -73.02 171.9 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.576 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -69.4 -45.41 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.856 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.19 -47.88 42.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -45.08 -27.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 1.0 110.684 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.3 mt -81.88 -38.43 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 t -70.76 -55.58 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.176 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -61.07 -53.51 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.48 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.504 ' C ' ' H ' ' A' ' 50' ' ' ASN . 7.0 tt0 -67.71 -68.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.294 -177.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.07 -6.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.299 -177.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.504 ' H ' ' C ' ' A' ' 48' ' ' GLN . 19.7 t30 61.54 66.56 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.792 0.329 . . . . 1.0 110.926 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.0 mt -139.35 151.67 46.55 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.841 -0.429 . . . . 1.0 109.841 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 54' ' ' SER . 58.8 m -77.81 114.11 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.638 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.477 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.7 pm0 -55.89 -5.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.904 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.519 ' H ' ' C ' ' A' ' 52' ' ' SER . 74.1 m -76.97 -38.43 53.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.242 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' GLN . 2.1 m-20 -82.54 -33.55 28.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.486 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 59' ' ' GLN . 99.5 t -46.71 -69.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.631 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -42.61 -39.93 2.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.073 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -75.43 -31.6 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.156 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 56' ' ' VAL . 8.9 tt0 -63.26 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.561 . . . . 1.0 111.005 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -50.18 -45.05 53.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.886 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -46.68 -64.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.336 . . . . 1.0 110.669 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 tp -40.98 -69.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.088 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.413 ' H ' ' CD1' ' A' ' 63' ' ' LEU . 9.5 mp -46.77 -44.74 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.448 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' NZ ' ' CB ' ' A' ' 64' ' ' LYS . 2.6 ttmp? -63.29 -41.31 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.68 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 p -67.75 -21.89 65.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.422 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.8 t -81.0 -4.74 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.461 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 t60 74.23 16.25 3.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.49 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 tt -82.99 -77.27 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.119 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.63 162.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.88 0.372 . . . . 1.0 110.79 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -133.41 177.57 7.58 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.823 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -160.93 121.37 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.968 0.413 . . . . 1.0 111.146 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -87.23 156.73 19.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.194 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -118.79 118.67 32.22 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.276 -0.42 . . . . 1.0 109.947 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -161.08 73.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.076 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 125.0 87.14 0.7 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 178.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.448 ' N ' ' CD ' ' A' ' 76' ' ' GLN . 26.7 mp0 50.56 -88.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 1.0 110.817 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' GLY . 66.9 m -70.91 -167.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.569 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.7 mtt -129.86 176.47 8.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mt -142.91 105.07 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.933 0.397 . . . . 1.0 110.531 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -67.45 146.09 54.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.652 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -160.73 147.09 15.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.005 0.431 . . . . 1.0 111.234 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.62 95.82 10.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.67 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.37 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.869 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -42.87 100.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.129 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.1 pt -77.46 0.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.664 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -73.29 -38.31 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.698 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.2 t -71.51 -34.65 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.686 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.84 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.632 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -80.54 -59.36 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.801 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 26.2 ttt -45.21 -36.96 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.245 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.9 tp -74.76 -32.67 62.13 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.525 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -66.28 -60.21 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.26 -28.01 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.777 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.36 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.573 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 73.7 mt -79.6 -7.21 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.507 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -77.95 -38.94 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.675 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 18.8 t-160 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.6 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.771 0.32 . . . . 1.0 110.705 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 66.7 p -70.14 -61.05 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.842 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.9 -55.3 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.404 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -51.7 -38.93 57.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.874 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -59.38 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.498 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.72 -22.32 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.493 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.7 m -74.55 -20.42 59.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.285 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -77.47 -35.03 54.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.426 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 33.3 mt -59.01 -63.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.342 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -52.9 -42.55 65.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.616 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.19 -40.97 91.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.004 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.562 ' C ' ' H ' ' B' ' 24' ' ' GLY . . . -42.35 -44.78 4.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.667 0.27 . . . . 1.0 111.106 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.76 27.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.645 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' B' ' 22' ' ' ALA . . . -47.33 -49.28 20.02 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.821 -0.911 . . . . 1.0 110.821 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.415 ' OD2' ' OE1' ' B' ' 59' ' ' GLN . 1.0 OUTLIER -76.36 166.49 23.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 1.0 110.457 179.782 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.475 ' C ' ' H ' ' B' ' 28' ' ' ARG . 88.8 m-85 -100.07 -53.97 3.01 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.546 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -64.79 3.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.473 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.519 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 29.2 ttm180 -58.96 -44.43 91.48 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.688 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 74.0 mt -65.65 -48.92 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.768 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -46.24 -48.04 17.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.602 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 71.4 mt -76.68 -58.18 4.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.792 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' B' ' 32' ' ' MET . 1.7 tmt? -45.55 -35.17 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.763 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.35 -67.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.848 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.16 -32.91 50.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.145 0.497 . . . . 1.0 110.276 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.8 OUTLIER -70.71 -44.85 66.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.401 -179.381 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -40.45 -21.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.727 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.2 p -158.43 72.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.789 0.804 . . . . 1.0 110.667 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.512 ' HG ' ' H ' ' B' ' 39' ' ' GLU . 27.6 t -172.25 -160.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.557 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.512 ' H ' ' HG ' ' B' ' 38' ' ' SER . 6.2 pt-20 -175.66 129.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.486 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.08 166.73 25.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.633 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 50.4 m -83.5 -178.81 7.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.678 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.6 -49.9 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.096 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -81.0 -34.79 26.03 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -178.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -55.34 -57.18 12.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.725 0.298 . . . . 1.0 110.932 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 tt -57.18 -32.47 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.936 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 54.1 p -72.09 -67.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.288 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.521 ' N ' ' OG ' ' B' ' 46' ' ' SER . 23.6 t60 -55.8 -53.6 54.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.432 -177.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.51 ' C ' ' H ' ' B' ' 50' ' ' ASN . 30.5 tt0 -52.85 -61.11 2.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.167 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.52 7.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.422 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.51 ' H ' ' C ' ' B' ' 48' ' ' GLN . 13.6 m-20 58.25 74.23 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.788 -0.365 . . . . 1.0 110.693 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tp -152.33 155.95 38.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.113 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.4 p -79.36 115.26 18.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.559 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.19 2.28 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.013 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 77.5 p -73.36 -38.28 65.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.31 -0.404 . . . . 1.0 111.082 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -105.14 -5.76 20.48 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.541 -0.3 . . . . 1.0 111.673 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' B' ' 57' ' ' SER . 8.6 p -60.71 -56.55 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.962 -177.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.466 ' N ' ' CG1' ' B' ' 56' ' ' VAL . 11.2 t -49.76 -52.76 29.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.721 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -56.65 -29.67 62.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.654 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.415 ' OE1' ' OD2' ' B' ' 25' ' ' ASP . 8.4 tp-100 -70.78 -50.78 32.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.123 -178.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 mt -59.38 -48.2 82.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.983 -0.287 . . . . 1.0 111.009 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -45.36 -42.94 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.885 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 tp -56.19 -62.45 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.201 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.406 ' N ' ' CD1' ' B' ' 63' ' ' LEU . 10.5 mp -47.62 -48.51 28.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.199 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -49.31 -29.56 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.254 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -80.81 -45.49 16.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 9.2 t -56.39 -13.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.439 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.466 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 15.6 t-80 78.94 18.55 0.86 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.143 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 30.6 mt -87.97 -73.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.773 0.32 . . . . 1.0 110.384 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -82.08 132.81 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.9 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -103.81 135.82 44.64 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.456 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.49 164.84 13.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.895 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -145.36 125.59 13.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.868 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.12 106.62 18.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.67 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -138.34 136.39 36.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.101 -0.499 . . . . 1.0 109.907 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.56 -157.46 1.53 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.488 -1.045 . . . . 1.0 110.488 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -64.15 -55.47 21.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.811 0.338 . . . . 1.0 110.54 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.436 ' C ' ' SD ' ' B' ' 78' ' ' MET . 22.7 t -72.29 -167.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.593 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.586 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -152.05 125.15 8.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 1.0 109.859 179.252 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 mt -98.33 129.03 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.0 -177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.41 146.52 23.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.369 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 38.9 p -155.16 132.44 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.821 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.82 124.29 33.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.174 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.66 -27.34 40.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.922 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.48 78.44 9.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.875 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.473 ' CD1' ' N ' ' B' ' 85' ' ' ILE . 2.1 mp -62.45 -26.61 40.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 1.0 109.913 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -46.92 -46.42 21.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.851 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.09 -39.06 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.808 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.16 91.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.744 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 45.7 p -74.63 -48.52 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.84 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 24.5 ttt -54.44 -28.92 47.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.389 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 31.0 tp -73.64 -37.74 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.374 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -61.96 -49.43 76.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.672 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -57.52 -31.69 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.881 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.64 66.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.674 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 73.4 mt -79.29 -11.67 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.666 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -73.66 -33.37 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.676 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.728 -179.814 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.7 t0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.87 0.367 . . . . 1.0 110.167 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -67.61 -58.51 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.4 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.58 -48.41 48.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.802 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' THR . 31.1 tt0 -45.15 -45.14 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.936 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -48.95 -21.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.034 0.445 . . . . 1.0 110.744 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.5 t -89.64 -23.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.483 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' GLU . 8.6 m -78.26 -17.36 56.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.105 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.78 -44.46 8.5 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.702 -0.227 . . . . 1.0 111.205 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 tt -57.59 -38.28 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.858 -0.337 . . . . 1.0 111.079 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -79.85 -38.48 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.152 -0.314 . . . . 1.0 110.152 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -67.52 -21.54 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 1.0 110.512 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.74 -51.04 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.664 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.5 mt -56.97 167.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.479 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.03 -8.68 0.06 OUTLIER Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.103 -0.799 . . . . 1.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -69.3 115.97 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 1.0 110.771 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.713 ' H ' HH21 ' A' ' 28' ' ' ARG . 45.6 t80 -88.53 -73.42 0.5 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.543 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -104.38 1.21 29.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.188 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.713 HH21 ' H ' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -80.87 -6.52 58.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.897 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.23 -44.78 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.08 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -40.33 -44.09 1.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.161 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.49 -51.68 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.398 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 ttt -53.51 -33.7 55.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.499 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.89 -51.88 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.417 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.31 -37.27 86.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -36.15 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 1.0 109.778 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -66.84 -21.33 66.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.055 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -77.28 -36.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.957 -0.297 . . . . 1.0 110.949 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -171.27 -141.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.932 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -139.51 153.78 47.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.375 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.16 -177.41 5.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.504 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.42 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 6.4 p -71.98 173.95 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.095 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -81.65 -38.52 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.184 -178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.07 -49.94 5.37 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.534 -0.626 . . . . 1.0 111.534 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.424 ' HD1' ' N ' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -43.79 -37.32 2.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.692 0.282 . . . . 1.0 111.184 -178.344 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.41 -27.18 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.077 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 51' ' ' LEU . 48.4 t -73.94 -61.81 1.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.294 -177.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -61.67 -53.01 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.24 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -53.28 -46.19 69.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.91 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 tp -80.02 7.38 9.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.645 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.4 t30 58.68 58.33 3.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.762 0.315 . . . . 1.0 110.768 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.419 ' O ' ' OG ' ' A' ' 46' ' ' SER . 6.3 tp -141.24 158.62 43.65 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.209 -0.45 . . . . 1.0 109.932 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 54' ' ' SER . 55.3 p -80.19 118.02 21.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.627 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -64.17 1.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.981 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.488 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 5.0 m -85.59 -22.1 28.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.619 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 1.2 m-20 -90.82 -42.77 10.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.262 -178.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.484 ' CG2' ' H ' ' A' ' 57' ' ' SER . 31.3 m -50.85 -61.02 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.979 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.484 ' H ' ' CG2' ' A' ' 56' ' ' VAL . 54.9 p -41.88 -53.23 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.699 0.285 . . . . 1.0 111.281 -178.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 54' ' ' SER . 21.5 m80 -67.45 -28.33 67.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.635 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -67.02 -53.73 28.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.892 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.3 mt -50.01 -38.34 37.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.442 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -45.42 -50.37 12.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.602 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.05 -70.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.391 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.496 ' H ' ' CD1' ' A' ' 63' ' ' LEU . 9.9 mp -41.78 -62.1 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.964 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -48.3 -47.65 36.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.998 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 t -65.1 -36.94 85.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.236 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.475 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 61.5 t -77.44 -2.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.893 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.475 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 3.7 m80 77.85 22.55 0.85 Allowed 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.013 0.375 . . . . 1.0 112.013 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.1 mt -87.92 -15.29 37.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.571 0.224 . . . . 1.0 110.807 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.2 t -144.82 135.02 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.828 0.347 . . . . 1.0 110.591 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -107.98 129.1 55.14 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.372 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 -179.62 6.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.583 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -155.16 137.09 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.519 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -71.91 103.39 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.874 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -136.12 93.62 2.94 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.24 -151.56 42.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.5 ' CD ' ' H ' ' A' ' 76' ' ' GLN . 1.7 mp0 -62.29 -59.33 5.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 1.0 110.832 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.8 m -78.5 -167.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.564 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mmt -132.44 119.49 20.69 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 96.9 mt -79.1 119.86 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 1.0 110.509 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -82.3 129.3 34.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.79 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -145.16 145.5 31.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.483 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -82.41 -176.81 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.521 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -159.25 -45.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.45 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -74.55 88.21 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.637 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.5 mm -63.27 -17.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.576 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.598 ' H ' ' HD1' ' A' ' 86' ' ' HIS . 3.1 m80 -57.87 -52.24 66.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.72 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.87 -36.79 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.653 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.64 -34.51 72.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.615 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.7 m -74.3 -46.06 43.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.774 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 mmt -55.42 -28.84 56.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.936 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.55 -61.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 1.0 110.224 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -46.17 -49.4 16.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.667 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -47.58 -34.29 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.502 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.92 -45.22 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.634 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -79.76 -7.41 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.6 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -75.07 -53.02 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.67 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.7 -179.785 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.797 0.332 . . . . 1.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -61.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.013 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' B' ' 15' ' ' ARG . 11.1 tp -51.32 -54.95 21.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.172 -177.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -50.84 -11.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.871 -0.332 . . . . 1.0 111.05 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.443 ' H ' ' C ' ' B' ' 13' ' ' LEU . 56.6 ttm-85 -67.64 -57.74 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.793 -0.363 . . . . 1.0 110.403 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.512 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 12.6 m -64.96 -15.28 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.562 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.416 ' CG2' ' CE1' ' A' ' 26' ' ' TYR . 89.6 m -74.92 -26.25 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.332 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -78.66 -37.02 42.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.734 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 98.9 mt -56.46 -67.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.652 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.512 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 9.8 m-85 -50.29 -37.81 38.11 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.534 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -65.54 -36.56 84.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.756 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.58 -47.73 49.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.387 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.24 162.64 5.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.369 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.19 -23.08 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 15.7 p-10 -72.66 138.11 46.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 1.0 110.71 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -98.91 -73.34 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.082 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -104.27 -4.27 23.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.085 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.495 ' N ' ' CD ' ' B' ' 28' ' ' ARG . 10.7 mpt_? -78.83 -8.44 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.284 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' B' ' 31' ' ' ILE . 17.1 tt -71.88 -29.59 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.415 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -40.57 -21.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.336 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' B' ' 29' ' ' ILE . 9.7 pt -70.24 -40.6 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.889 -0.324 . . . . 1.0 110.424 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' MET . . . . . 0.451 ' N ' ' O ' ' B' ' 29' ' ' ILE . 71.4 mmm -62.71 -26.24 68.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.49 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -68.43 -68.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.013 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -50.83 -31.05 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.749 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' B' ' 37' ' ' VAL . 0.2 OUTLIER -63.55 -32.01 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.107 0.479 . . . . 1.0 109.823 -179.568 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -49.76 -13.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' B' ' 38' ' ' SER . 1.7 p -172.11 86.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.38 0.609 . . . . 1.0 110.806 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' B' ' 37' ' ' VAL . 1.8 m 163.86 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.532 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -171.93 134.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -159.32 -178.36 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.665 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 45.0 m -79.13 -179.04 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.633 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.7 p -78.77 -35.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.494 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.63 -54.98 2.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.416 ' N ' ' HD1' ' B' ' 44' ' ' HIS . 0.7 OUTLIER -44.86 -57.55 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.334 . . . . 1.0 110.817 -179.564 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 tt -48.19 -28.65 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.788 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.9 t -77.41 -59.11 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.957 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -53.31 -50.45 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.043 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -53.14 -53.27 52.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.916 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 39.1 mt -79.34 9.48 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.295 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 56.8 64.77 1.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.761 0.315 . . . . 1.0 111.044 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.8 mt -141.61 156.14 45.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.139 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 37.9 m -81.51 123.56 28.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.654 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -48.19 -54.64 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.929 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.441 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 45.5 t -52.89 -34.93 57.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.203 -178.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -73.29 -65.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.092 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' B' ' 59' ' ' GLN . 6.3 p -50.82 -58.33 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.726 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.448 ' H ' ' CG1' ' B' ' 56' ' ' VAL . 28.6 t -41.76 -49.91 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 1.0 111.257 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' B' ' 54' ' ' SER . 1.9 m80 -65.62 -22.79 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.652 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' B' ' 56' ' ' VAL . 5.2 tt0 -74.26 -43.01 58.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.885 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.9 mt -55.47 -38.51 69.18 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.536 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -46.65 -52.75 13.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.45 -62.83 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.376 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.436 ' N ' ' CD2' ' B' ' 63' ' ' LEU . 4.0 mm? -47.3 -54.61 10.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.511 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' B' ' 66' ' ' VAL . 33.5 ttpt -65.1 -37.28 86.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.281 -177.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.4 p -72.85 8.37 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.23 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' B' ' 67' ' ' HIS . 82.2 t -124.88 -3.3 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.712 -0.222 . . . . 1.0 110.533 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' B' ' 66' ' ' VAL . 0.9 OUTLIER 85.77 19.62 0.1 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.348 176.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 35.3 mt -91.16 -13.49 32.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.626 0.25 . . . . 1.0 110.536 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 85.2 t -147.57 143.42 19.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.84 0.352 . . . . 1.0 110.601 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -124.19 111.06 15.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.157 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.81 155.24 19.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.078 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -141.69 163.38 33.06 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.913 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -139.02 127.55 23.08 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.059 0.457 . . . . 1.0 110.538 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -160.24 67.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.096 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.34 -61.72 0.41 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.578 -1.009 . . . . 1.0 110.578 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -164.42 -88.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 84.9 p -62.37 179.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.98 -0.378 . . . . 1.0 109.98 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.6 mpt? -111.08 111.3 22.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.805 0.336 . . . . 1.0 110.369 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 mm -82.86 103.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.737 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -68.9 146.9 52.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.598 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -153.95 138.82 17.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.704 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' B' ' 82' ' ' LEU . 2.9 mm? -81.06 94.44 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.179 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -71.98 -36.67 69.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.365 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.82 95.44 8.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.515 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.1 -16.45 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.777 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -56.13 -57.37 12.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.695 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.56 -40.69 87.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.859 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.41 83.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.671 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.7 m -74.74 -35.11 62.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 5.8 tpt -63.02 -27.31 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.613 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.7 tp -70.97 -49.9 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.433 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -59.54 -38.59 81.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.507 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.16 -32.67 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.715 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.3 -54.83 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.732 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.8 mt -70.1 -7.53 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.591 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -75.33 -67.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.602 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 66.5 m80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.331 179.404 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.802 0.334 . . . . 1.0 110.75 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 13' ' ' LEU . 8.8 t -72.82 -45.68 57.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.027 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' N ' ' CG2' ' A' ' 12' ' ' THR . 10.7 tp -44.68 -56.02 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 1.0 110.871 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -48.82 -54.12 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.812 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -56.71 -37.31 70.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.799 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.9 t -68.76 -25.92 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.995 0.426 . . . . 1.0 110.408 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.9 m -72.77 -18.52 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.368 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -78.84 -37.88 39.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.473 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.6 mt -56.5 -62.07 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -56.21 -44.02 79.09 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -66.0 -15.22 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.777 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.54 -50.83 33.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 1.0 110.465 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' B' ' 20' ' ' PHE . 13.7 mt -44.0 145.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.87 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -158.01 125.67 1.58 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.516 -1.034 . . . . 1.0 110.516 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' GLY . 60.3 m-20 56.98 114.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 1.0 110.653 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -71.59 -13.92 61.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.745 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -76.56 -15.49 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.9 ttt-85 -76.69 -33.3 58.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.051 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -46.26 -51.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.713 0.292 . . . . 1.0 110.497 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -45.49 -37.46 5.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.922 0.392 . . . . 1.0 110.464 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' LEU . 20.8 mt -74.94 -60.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.377 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 ttm -41.17 -41.26 1.76 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.53 -38.43 89.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.274 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.1 tp -65.31 -37.48 87.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 37' ' ' VAL . 13.4 mt -66.28 -30.2 70.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.479 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -46.73 -21.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.469 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.421 ' N ' ' C ' ' A' ' 35' ' ' LEU . 3.4 p -177.06 88.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.088 178.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 34' ' ' LEU . 89.2 p -170.18 -64.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.986 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 38' ' ' SER . 57.4 mt-10 59.37 116.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.386 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.86 -177.38 6.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.673 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 25.9 t -70.96 171.87 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.446 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 t -79.85 -37.16 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.966 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 46' ' ' SER . . . -83.19 -64.42 1.65 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.269 -0.732 . . . . 1.0 111.269 -178.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -43.09 -55.3 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 1.0 111.151 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 41' ' ' SER . 18.9 tt -45.83 -27.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.774 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 43' ' ' GLY . 18.3 p -83.94 -38.58 20.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.109 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.1 -53.12 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.959 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.44 -39.93 92.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.827 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.0 tp -75.66 -9.07 58.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.183 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m120 68.84 64.6 0.3 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.507 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.2 mt -143.12 158.28 43.75 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.828 -0.434 . . . . 1.0 109.828 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.505 ' C ' ' H ' ' A' ' 54' ' ' SER . 92.1 p -79.52 114.48 18.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.564 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -58.85 -3.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.689 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.505 ' H ' ' C ' ' A' ' 52' ' ' SER . 11.9 t -77.29 -42.51 36.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.517 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -77.48 -37.54 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.492 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.6 t -44.26 -69.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.7 p -45.75 -34.62 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.958 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -78.57 -31.21 47.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.993 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.28 -57.48 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.745 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.21 -39.72 66.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.809 0.338 . . . . 1.0 110.599 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -42.59 -62.14 1.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.073 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 tp -44.93 -57.17 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.731 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 66' ' ' VAL . 9.6 mp -52.84 -49.28 66.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.431 -177.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -43.72 -36.45 2.23 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.93 -0.308 . . . . 1.0 111.11 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p -83.5 -17.91 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.131 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 90.7 t -76.31 -16.69 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.504 -0.316 . . . . 1.0 111.067 -178.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.468 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 4.1 m80 75.73 18.61 2.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.76 0.314 . . . . 1.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 tt -87.28 -73.34 0.48 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.445 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.9 m -78.78 152.13 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.226 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -130.72 122.58 27.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.938 -0.574 . . . . 1.0 109.889 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.76 171.19 10.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.023 0.439 . . . . 1.0 111.221 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -139.99 138.56 35.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.918 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.96 116.1 12.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.947 0.403 . . . . 1.0 110.488 -178.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -160.16 73.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.38 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.87 -66.72 0.35 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.459 -1.056 . . . . 1.0 110.459 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -169.56 -66.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 1.0 110.543 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 78' ' ' MET . 47.6 t -63.03 -167.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.485 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.443 ' N ' ' OG ' ' A' ' 77' ' ' SER . 27.4 mtp -141.6 98.09 3.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.318 -0.401 . . . . 1.0 109.945 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 79' ' ' ILE . 1.9 mp -84.66 101.01 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.552 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -66.18 156.0 35.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.343 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -163.81 135.78 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.005 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 8.1 mp -86.72 82.11 7.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.968 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.32 -17.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.713 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 82' ' ' LEU . 33.5 m-20 -88.71 149.38 23.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.563 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.6 pt -109.97 -27.51 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.579 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -53.69 -51.99 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.876 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 t -44.71 -45.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.871 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.6 -41.18 69.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.69 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 m -73.28 -48.84 31.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.727 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 mmt -36.75 -49.6 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 1.0 112.064 -177.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 91' ' ' LEU . 7.4 mp -75.64 -36.17 60.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 1.0 110.421 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -63.0 -62.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.852 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.436 ' OE1' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -52.25 -32.88 39.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.895 -178.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.436 ' N ' ' OE1' ' A' ' 93' ' ' GLN . . . -64.76 -57.26 9.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.647 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 74.1 mt -75.34 -6.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.655 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -69.02 -57.94 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.506 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.6 m170 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.675 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.408 ' CG ' ' H ' ' B' ' 12' ' ' THR . 16.8 p-10 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.696 0.284 . . . . 1.0 110.545 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.408 ' H ' ' CG ' ' B' ' 11' ' ' ASP . 20.9 p -63.15 -41.4 99.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.711 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.63 -44.52 96.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.617 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.58 -15.67 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.987 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -77.8 -55.95 4.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.356 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.22 -17.94 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 1.0 110.694 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.7 p -73.83 -33.82 64.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.237 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -66.39 -28.36 68.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.481 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mt -65.96 -58.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.807 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 43.9 m-85 -61.28 -44.44 97.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.012 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.506 ' NZ ' ' CB ' ' B' ' 21' ' ' LYS . 5.3 ttpm? -60.12 -14.57 17.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.008 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.19 -40.95 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.664 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -55.97 156.49 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.726 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.87 -110.11 0.33 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -72.68 137.99 46.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 1.0 110.712 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' ND2' ' B' ' 27' ' ' ASN . 18.5 p90 -59.93 -35.84 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.756 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.501 ' ND2' ' CE1' ' B' ' 26' ' ' TYR . 59.3 m-80 -46.6 -22.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 1.0 110.461 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.533 HH21 ' CG2' ' B' ' 31' ' ' ILE . 5.3 tpm_? -63.97 -36.52 84.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.448 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.33 -52.66 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.768 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -49.6 -36.54 24.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.006 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.533 ' CG2' HH21 ' B' ' 28' ' ' ARG . 95.1 mt -72.16 -72.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.147 -178.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 15.1 ptm -45.14 -29.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.87 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.22 -66.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 1.0 110.488 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.55 -30.45 60.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.737 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' B' ' 37' ' ' VAL . 0.2 OUTLIER -68.31 -37.41 80.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.217 0.532 . . . . 1.0 109.598 179.271 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.8 m -46.93 -21.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.257 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.409 ' N ' ' C ' ' B' ' 35' ' ' LEU . 9.9 t -151.19 64.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.939 177.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -174.51 -166.03 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.844 0.354 . . . . 1.0 110.731 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -179.4 129.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.014 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.38 -177.79 5.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 1.0 111.072 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 43.4 m -76.45 -179.6 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.376 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 m -83.48 -34.97 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.829 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.32 -62.23 1.5 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.101 -0.8 . . . . 1.0 111.101 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -44.65 -48.66 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 1.0 110.881 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 11.0 tt -53.14 -24.43 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.815 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.5 m -80.73 -54.04 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.894 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -44.58 -51.19 9.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.969 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -60.86 -46.0 92.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.028 -178.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 mt -78.72 -3.0 42.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.358 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.4 25.56 4.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.846 0.313 . . . . 1.0 111.846 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.02 141.23 29.06 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.533 ' C ' ' H ' ' B' ' 54' ' ' SER . 10.2 t -80.28 126.36 31.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.506 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.61 -2.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.306 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.533 ' H ' ' C ' ' B' ' 52' ' ' SER . 59.4 m -80.08 -46.63 16.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.899 0.381 . . . . 1.0 110.52 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -80.45 -33.47 36.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.825 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 59' ' ' GLN . 92.4 t -45.8 -73.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.699 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -41.15 -43.84 2.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.296 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -66.82 -29.89 69.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.572 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' B' ' 56' ' ' VAL . 6.8 tp-100 -63.73 -61.91 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.093 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.59 -44.51 65.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 1.0 110.955 -178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -43.92 -63.33 0.88 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.912 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -45.15 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.837 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' B' ' 66' ' ' VAL . 7.5 mp -47.33 -53.74 12.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.862 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -40.15 -42.99 1.56 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.749 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -78.41 -18.82 54.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.475 -0.33 . . . . 1.0 111.357 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' B' ' 67' ' ' HIS . 60.6 t -79.47 -12.68 13.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.996 -0.282 . . . . 1.0 111.327 -178.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' B' ' 66' ' ' VAL . 6.6 t60 87.29 22.02 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 122.636 0.374 . . . . 1.0 111.175 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 40.1 mt -89.61 -74.07 0.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.745 0.307 . . . . 1.0 110.735 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 20.2 t -83.18 146.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.905 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -117.29 129.14 55.71 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.918 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.72 160.49 17.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.698 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -147.34 140.04 24.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.115 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -132.24 117.51 18.32 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.585 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -155.75 76.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.912 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.66 -74.13 0.28 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.788 -1.325 . . . . 1.0 109.788 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -171.99 -50.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 1.0 110.216 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -62.42 -167.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.201 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 25.9 ttt -131.19 86.05 2.33 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.779 -0.452 . . . . 1.0 109.779 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 15.4 tt -85.52 102.31 11.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.824 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -93.09 165.07 13.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.072 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.6 p -154.6 152.97 30.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 84' ' ' ASP . 14.5 mt -68.89 -18.48 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.835 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 57.51 -79.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.569 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' B' ' 82' ' ' LEU . 0.7 OUTLIER -67.95 100.28 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 1.0 110.607 179.669 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.66 -15.13 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.543 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -56.0 -23.15 31.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.582 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.4 t -76.51 -25.05 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.575 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.81 -24.85 41.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.365 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.643 ' HG1' ' H ' ' B' ' 90' ' ' MET . 67.4 p -78.49 -53.93 6.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.877 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' MET . . . . . 0.643 ' H ' ' HG1' ' B' ' 89' ' ' THR . 0.0 OUTLIER -54.74 -26.47 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.566 -179.399 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 tp -75.12 -49.41 19.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.238 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -62.28 -42.62 99.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.489 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.503 HE21 ' NE2' ' B' ' 97' ' ' HIS . 20.4 tm0? -55.57 -30.72 61.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.277 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.11 -45.29 61.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.437 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -76.61 -11.08 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.312 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -73.4 -38.17 65.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.621 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.503 ' NE2' HE21 ' B' ' 93' ' ' GLN . 21.2 m170 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.511 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.906 0.384 . . . . 1.0 110.666 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.3 p -73.53 -59.45 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.8 mt -81.04 -12.61 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.529 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.91 -21.42 43.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.551 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -69.71 -62.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.761 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.0 m -61.75 -16.16 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.557 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.8 m -74.9 -39.94 61.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.485 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -62.34 -33.1 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.276 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.1 mt -61.55 -62.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.635 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -57.66 -44.33 85.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.682 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -59.36 -20.09 51.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.859 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.13 -42.79 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.663 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -51.9 156.3 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.518 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.3 -76.89 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.855 -0.898 . . . . 1.0 110.855 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -73.21 179.51 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 1.0 110.545 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.492 ' CG ' ' N ' ' A' ' 27' ' ' ASN . 27.6 p90 -99.77 -48.6 4.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.056 0.455 . . . . 1.0 109.995 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.633 ' ND2' HE21 ' A' ' 59' ' ' GLN . 13.6 p-10 -65.18 2.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 26' ' ' TYR . 56.2 ttt-85 -63.85 -29.04 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.576 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 31' ' ' ILE . 42.0 mt -77.17 -54.37 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.705 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -42.0 -19.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.218 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 29' ' ' ILE . 6.6 mm -76.27 -41.38 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' ILE . 46.2 mtt -70.24 -35.94 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.871 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.84 -33.52 76.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.934 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.1 tp -78.93 -39.67 34.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.761 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -62.31 -30.64 71.3 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.5 t -38.68 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.419 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' LEU . 4.0 p -176.27 82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.069 177.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -153.33 -77.72 0.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.267 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 61.69 108.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.949 -0.389 . . . . 1.0 109.949 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.01 -176.83 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.917 0.389 . . . . 1.0 110.926 -177.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -65.11 167.1 8.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.364 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.6 m -83.41 -35.96 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 1.0 111.042 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.99 -48.78 5.61 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.476 -0.65 . . . . 1.0 111.476 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -42.21 -52.89 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 1.0 111.13 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.5 pt -51.71 -26.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.775 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' GLY . 6.2 t -69.78 -73.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.977 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -57.89 -49.78 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.109 -178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.416 ' C ' ' H ' ' A' ' 50' ' ' ASN . 30.5 mm-40 -50.05 -56.87 9.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.144 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 50' ' ' ASN . 31.1 mt -78.42 20.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.178 -178.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 48' ' ' GLN . 1.0 OUTLIER 54.16 15.93 1.05 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.687 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.0 mt -88.59 149.92 23.32 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.994 -0.372 . . . . 1.0 109.994 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.545 ' C ' ' H ' ' A' ' 54' ' ' SER . 17.9 p -83.13 136.12 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.302 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -63.9 9.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.77 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.545 ' H ' ' C ' ' A' ' 52' ' ' SER . 37.8 p -74.83 -33.71 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.7 0.286 . . . . 1.0 111.023 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.535 ' C ' ' H ' ' A' ' 57' ' ' SER . 15.5 p-10 -83.68 -47.04 11.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.202 -178.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.7 m -54.1 -2.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.806 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.535 ' H ' ' C ' ' A' ' 55' ' ' ASN . 7.6 t -95.32 -60.52 1.65 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.945 0.403 . . . . 1.0 110.203 177.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.464 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 41.0 t-80 -79.07 -16.07 57.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.0 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.633 HE21 ' ND2' ' A' ' 27' ' ' ASN . 20.8 mm-40 -60.76 -70.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.144 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.68 -44.75 69.97 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.778 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -40.92 -65.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.356 . . . . 1.0 111.175 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 65' ' ' SER . 11.3 tp -51.47 -68.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.944 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 8.5 mp -41.1 -50.89 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.014 -177.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -57.84 -26.62 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.493 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 62' ' ' LEU . 7.5 t -80.59 -44.79 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.215 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.29 -2.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.618 -0.264 . . . . 1.0 110.923 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 68.93 14.52 8.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.328 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.3 mt -82.27 0.56 40.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.671 -0.24 . . . . 1.0 110.603 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -152.12 135.07 6.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.966 0.412 . . . . 1.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -98.77 119.84 38.2 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.216 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.73 172.95 8.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.68 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -149.9 132.56 15.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.318 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' A' ' 73' ' ' ARG . 8.7 mpt_? -91.46 114.08 26.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.506 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 77' ' ' SER . 32.1 tt0 -131.06 112.38 12.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.446 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.49 -148.97 48.87 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -68.63 -50.07 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 1.0 110.378 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 78' ' ' MET . 35.1 t -82.57 -167.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.904 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.477 ' N ' ' OG ' ' A' ' 77' ' ' SER . 17.4 ptt? -154.71 163.43 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.013 -0.366 . . . . 1.0 110.013 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.6 mt -133.1 123.4 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.894 0.378 . . . . 1.0 110.273 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -86.49 155.63 20.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.287 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.7 m -158.9 152.21 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.002 0.43 . . . . 1.0 111.051 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.7 mt -81.56 -39.9 23.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.687 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t70 70.44 -55.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.68 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -54.69 95.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.496 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 tp -62.83 -19.03 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.56 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -68.11 -61.71 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.65 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.4 t -46.65 -41.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.738 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.86 87.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.783 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -72.92 -49.84 27.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.658 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.0 mmt -44.77 -33.96 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.869 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -62.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.077 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -45.18 -53.65 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.784 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -46.34 -35.5 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.647 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.49 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.562 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.6 mm -75.35 -7.0 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.58 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -88.67 -24.73 22.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.83 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.1 t60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.898 -178.889 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 42.8 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 1.0 110.742 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -57.31 -43.14 83.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.775 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tp -76.55 -33.71 58.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.602 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.413 ' O ' ' OG1' ' B' ' 17' ' ' THR . 39.7 tp10 -47.24 -44.31 22.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.06 -179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -68.15 -29.32 68.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.844 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.6 t -74.42 -25.35 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.893 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 68.1 p -74.13 -28.07 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.196 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.58 -39.18 88.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.476 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mm -53.7 -52.96 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -75.19 -44.35 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.914 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.71 -10.34 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.717 0.294 . . . . 1.0 110.776 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.29 -44.54 16.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.956 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.0 mt -48.6 153.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.768 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.65 -88.63 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.824 -0.91 . . . . 1.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 0.8 OUTLIER -81.16 109.23 15.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 1.0 110.688 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.523 ' C ' ' H ' ' B' ' 28' ' ' ARG . 17.2 p90 -47.49 -31.28 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.101 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.659 HD21 ' N ' ' B' ' 28' ' ' ARG . 0.0 OUTLIER -56.12 -5.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.771 -179.174 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.659 ' N ' HD21 ' B' ' 27' ' ' ASN . 8.9 ptm180 -65.53 -24.73 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.012 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.95 -55.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.742 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -43.15 -32.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.094 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' B' ' 34' ' ' LEU . 48.0 mt -66.14 -70.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.551 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 39.5 mtt -42.28 -30.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.282 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.05 -34.37 76.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.839 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' B' ' 31' ' ' ILE . 10.2 tp -77.46 -39.58 46.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.821 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' B' ' 35' ' ' LEU . 3.2 mm? -67.22 -38.07 84.65 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.903 -0.319 . . . . 1.0 110.443 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -42.1 -25.98 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.27 . . . . 1.0 111.264 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.9 68.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.562 0.696 . . . . 1.0 110.729 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' B' ' 34' ' ' LEU . 11.9 p -174.02 -171.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.431 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -177.93 127.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.266 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -177.91 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.815 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -69.57 170.94 9.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.407 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 t -80.03 -25.61 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.855 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -94.7 -47.07 2.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.431 -0.667 . . . . 1.0 111.431 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -41.43 -51.13 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.0 111.509 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.3 pt -55.4 -23.95 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.156 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 40.0 p -70.91 -69.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 1.0 111.144 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.526 ' N ' ' OG ' ' B' ' 46' ' ' SER . 42.0 t-80 -52.24 -49.94 63.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.012 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.527 ' C ' ' H ' ' B' ' 50' ' ' ASN . 43.0 tt0 -53.58 -66.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.127 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.445 ' C ' HD21 ' B' ' 50' ' ' ASN . 36.3 mt -65.13 7.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.208 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' B' ' 48' ' ' GLN . 1.8 m-80 59.0 59.54 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.769 0.318 . . . . 1.0 110.891 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.5 mt -133.63 152.31 51.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.831 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 54' ' ' SER . 22.8 p -78.61 111.6 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.427 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -60.79 -0.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.707 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.5 ' H ' ' C ' ' B' ' 52' ' ' SER . 10.1 t -74.93 -41.1 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.455 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' B' ' 59' ' ' GLN . 7.3 m-20 -84.72 -38.06 20.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.669 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' B' ' 59' ' ' GLN . 87.6 t -44.01 -77.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.938 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.2 m -43.48 -44.24 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.067 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.422 ' N ' ' HD1' ' B' ' 58' ' ' HIS . 0.6 OUTLIER -68.73 -26.55 65.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.504 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' B' ' 55' ' ' ASN . 54.2 tp60 -71.58 -42.5 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.772 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.21 -40.79 86.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.634 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -47.98 -56.91 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.327 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.71 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.326 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.5 mt -36.58 -51.78 0.85 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.798 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -49.76 -48.39 50.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.845 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.425 ' C ' ' H ' ' B' ' 67' ' ' HIS . 14.3 t -62.18 -40.52 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.022 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.543 ' O ' ' CG ' ' B' ' 67' ' ' HIS . 3.1 t -75.68 13.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.578 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' B' ' 66' ' ' VAL . 3.2 p80 52.97 18.75 1.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.151 0.426 . . . . 1.0 112.151 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.9 mt -79.81 -14.17 58.88 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 97.5 t -152.48 148.82 14.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.111 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -128.39 128.59 44.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.823 0.344 . . . . 1.0 110.412 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.77 172.24 9.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.444 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -146.3 144.51 29.87 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.005 0.431 . . . . 1.0 110.545 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.3 ptt85 -139.62 103.86 4.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.696 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -145.89 88.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.58 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 96.24 103.47 2.06 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 -175.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.477 ' CD ' ' N ' ' B' ' 76' ' ' GLN . 1.7 pm0 -20.71 84.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.64 0.776 . . . . 1.0 113.066 -176.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.46 ' N ' ' O ' ' B' ' 75' ' ' GLY . 19.2 m -175.99 91.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.863 -0.792 . . . . 1.0 108.863 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -71.54 115.92 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.439 -174.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 12.4 pt -147.22 129.8 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.138 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -106.56 168.24 9.3 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.026 0.441 . . . . 1.0 111.467 -176.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 16.0 t -169.99 160.78 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.672 -0.694 . . . . 1.0 110.782 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 56.0 tp -91.15 91.36 8.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 1.0 109.978 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -69.87 -8.72 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.179 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 2.5 m-20 -75.64 100.4 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.787 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.18 -41.88 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.593 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -56.43 -69.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.831 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 32.9 t -45.27 -51.87 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.975 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.32 -57.03 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.167 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 29.9 p -70.91 -46.9 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.812 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 24.1 ttt -46.25 -31.67 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.736 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.6 tp -72.64 -51.21 20.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.212 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -59.74 -39.38 84.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.308 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -55.62 -29.64 59.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.389 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.48 -48.22 42.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.513 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 70.0 mt -78.71 -8.81 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.332 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.13 -38.53 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.491 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 28.3 m170 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.463 179.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.871 0.367 . . . . 1.0 110.577 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.1 m -82.19 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.761 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.43 -30.58 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.519 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -49.14 -58.46 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.884 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -64.76 -24.52 67.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.183 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -73.06 -25.3 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.984 0.421 . . . . 1.0 110.213 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.8 m -77.54 -22.86 50.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.034 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.41 -40.15 89.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.177 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.61 -59.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.35 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -57.29 -42.04 80.94 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.45 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -53.58 -24.19 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.444 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.83 55.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.481 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.1 mt -46.14 133.27 9.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.491 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.25 -10.17 0.05 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.239 -0.744 . . . . 1.0 111.239 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -168.45 109.52 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 1.0 110.612 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -50.46 -26.34 4.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.754 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.17 -11.11 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.611 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 29' ' ' ILE . 40.0 ptt85 -62.87 -42.06 99.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.65 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 28' ' ' ARG . 46.8 mm -54.37 -50.79 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.148 178.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -54.19 -49.87 68.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.586 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' LEU . 77.6 mt -64.37 -63.44 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.743 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.5 mtp -44.72 -31.41 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.966 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -68.84 -31.46 70.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.939 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' ILE . 34.9 tp -83.27 -43.65 15.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.721 -178.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.49 -19.46 64.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 1.0 110.699 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.7 t -70.6 -17.22 62.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.546 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.44 ' O ' ' CB ' ' A' ' 38' ' ' SER . 16.8 m -158.69 51.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.4 t 163.44 89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 1.0 110.089 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -74.73 151.49 39.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.674 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.18 -177.84 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.695 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 t -79.96 -173.17 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.387 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 17.5 m -82.75 -42.08 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.76 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.8 -45.71 7.09 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.101 -0.799 . . . . 1.0 111.101 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -45.53 -30.58 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.659 0.266 . . . . 1.0 110.817 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.2 mt -79.11 -25.29 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.934 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.457 ' HG ' ' CA ' ' A' ' 53' ' ' GLN . 11.0 t -70.84 -42.25 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.993 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -77.22 -49.12 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 1.0 111.212 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.514 ' C ' ' H ' ' A' ' 50' ' ' ASN . 6.7 mm100 -66.07 -56.5 11.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.1 -178.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' O ' ' OD1' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -70.53 11.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.223 -178.03 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 50' ' ' ASN . 6.2 p-10 45.02 72.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.194 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' O ' ' OG ' ' A' ' 46' ' ' SER . 75.8 mt -143.84 149.84 37.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.232 -0.655 . . . . 1.0 109.232 177.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.535 ' C ' ' H ' ' A' ' 54' ' ' SER . 14.6 t -77.78 122.61 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.457 ' CA ' ' HG ' ' A' ' 46' ' ' SER . 2.6 pp0? -55.69 -2.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.507 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.535 ' H ' ' C ' ' A' ' 52' ' ' SER . 26.7 t -74.95 -52.53 10.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 1.0 110.923 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.28 -28.08 42.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.058 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.01 -80.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.917 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 t -44.18 -48.91 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.06 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -56.33 -24.08 41.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.856 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -66.94 -52.16 46.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.91 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -50.73 -46.51 59.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.843 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -42.31 -72.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.021 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 48.6 tp -55.89 -73.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.462 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.0 tp -37.86 -50.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.892 -176.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -65.76 -48.81 70.59 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.867 -0.333 . . . . 1.0 111.137 -178.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.5 m -53.16 -19.29 2.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.213 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 67' ' ' HIS . 83.9 t -81.23 -8.1 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.046 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 18.6 t-80 82.59 16.83 0.35 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.646 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.9 tp -75.42 -88.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.409 . . . . 1.0 109.932 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.98 157.2 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 1.0 110.848 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -115.93 121.17 41.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.111 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.94 162.35 16.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.826 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -148.16 141.86 25.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.912 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 ptt85 -139.65 123.1 17.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.938 0.399 . . . . 1.0 110.611 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -160.5 97.51 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 100.28 102.39 2.48 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 44.07 -88.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.675 0.274 . . . . 1.0 111.236 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 75' ' ' GLY . 48.4 t -71.75 -167.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.659 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -153.04 144.5 23.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.771 179.662 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.415 HD13 HG22 ' A' ' 79' ' ' ILE . 95.6 mt -120.21 113.87 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 120.805 0.335 . . . . 1.0 110.363 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -98.07 144.06 27.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.5 p -158.06 179.63 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.203 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -171.15 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.163 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -158.5 -36.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.559 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.49 104.27 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 1.0 110.526 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.1 tp -75.24 -24.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.494 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -56.86 -62.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.809 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -55.95 -36.12 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.812 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.51 -47.25 76.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.777 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 49.2 p -75.62 -41.72 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.554 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.6 ttm -51.38 -33.21 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.544 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.0 tt -68.7 -59.7 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.065 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -48.9 -45.0 40.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.554 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -55.77 -25.39 40.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.585 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.73 -46.59 24.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.392 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.5 mm -65.32 -5.35 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.41 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -92.19 -55.67 3.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.604 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.906 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.776 0.322 . . . . 1.0 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' B' ' 13' ' ' LEU . 29.8 p -70.0 -61.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.735 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.409 ' N ' ' OG1' ' B' ' 12' ' ' THR . 3.2 tt -46.58 -53.43 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.259 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' THR . 65.1 mt-10 -45.11 -54.08 7.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.966 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -46.25 -41.55 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.743 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 t -65.36 -23.45 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.603 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.442 ' N ' ' O ' ' B' ' 14' ' ' GLU . 7.1 m -72.15 -23.27 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.416 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.21 -33.3 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.473 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.61 -42.26 80.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.459 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -75.97 -39.26 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.594 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -58.25 -23.59 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -53.66 55.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.655 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 mt -39.2 123.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.404 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.18 -122.95 1.18 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -81.62 -135.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 1.0 110.601 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.491 ' C ' ' H ' ' B' ' 28' ' ' ARG . 52.8 m-85 -100.05 -50.74 3.89 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 1.0 110.141 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -65.38 3.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.768 -0.651 . . . . 1.0 111.043 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.516 ' HE ' ' C ' ' B' ' 28' ' ' ARG . 1.9 tmm_? -60.97 -59.03 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 1.0 110.037 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.513 ' N ' ' HE ' ' B' ' 28' ' ' ARG . 8.6 tp -53.84 -48.59 61.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.325 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.425 ' N ' ' CG2' ' B' ' 29' ' ' ILE . 90.1 mtt180 -41.11 -45.33 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.181 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.09 -54.0 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.406 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 2.5 tpt -44.31 -29.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.892 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.68 -66.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.618 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.53 -33.33 63.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.083 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' B' ' 37' ' ' VAL . 37.6 tp -64.2 -25.58 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 60.7 p -47.23 -18.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.331 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' B' ' 35' ' ' LEU . 3.5 p -177.11 82.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.324 0.583 . . . . 1.0 110.16 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 90.0 p -169.61 49.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.056 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -47.97 126.85 11.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.329 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -178.49 6.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.652 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.1 t -69.37 163.08 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.504 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.9 -38.89 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.376 -177.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -83.85 -60.94 1.9 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.665 -0.574 . . . . 1.0 111.665 -177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -40.7 -55.66 2.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 1.0 111.349 -177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 tt -46.43 -29.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.596 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 14.5 p -75.62 -61.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.191 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.491 ' N ' ' OG ' ' B' ' 46' ' ' SER . 27.2 m80 -50.7 -53.66 29.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.063 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -52.18 -57.39 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.043 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 mt -73.99 8.68 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.021 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 m120 58.41 70.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 1.0 111.168 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 63.9 mt -136.94 145.62 44.46 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.809 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.526 ' C ' ' H ' ' B' ' 54' ' ' SER . 32.3 t -81.62 123.71 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.563 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -62.64 3.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.147 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.526 ' H ' ' C ' ' B' ' 52' ' ' SER . 18.4 m -80.53 -49.6 11.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 1.0 110.455 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' B' ' 59' ' ' GLN . 43.1 t30 -84.92 -44.62 13.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.916 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 59' ' ' GLN . 93.3 t -41.53 -80.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.31 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -41.75 -45.36 3.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.237 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -68.74 -23.33 64.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.592 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' B' ' 56' ' ' VAL . 32.8 tt0 -71.87 -44.58 63.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.82 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.18 -42.98 96.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 1.0 110.51 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.426 ' O ' ' OG ' ' B' ' 65' ' ' SER . 19.9 tptp -47.0 -49.07 21.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.352 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' B' ' 65' ' ' SER . 2.0 tt -54.8 -72.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 1.0 109.899 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 mt -40.15 -51.47 2.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.242 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -60.07 -27.03 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.189 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.444 ' N ' ' O ' ' B' ' 62' ' ' LEU . 15.9 m -76.34 -24.46 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.977 -0.289 . . . . 1.0 111.031 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' B' ' 67' ' ' HIS . 2.4 t -77.87 9.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.696 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' B' ' 66' ' ' VAL . 9.1 p-80 58.29 15.13 3.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.651 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 70.1 mt -86.27 -68.87 0.71 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.867 0.365 . . . . 1.0 110.084 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 t -86.1 145.51 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.876 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -122.91 -175.1 3.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.052 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.15 129.82 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.786 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -89.6 136.28 33.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.571 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -79.15 114.09 17.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.572 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -132.78 102.12 5.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.33 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.12 -148.1 48.52 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.873 . . . . 1.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -60.83 -61.05 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 1.0 110.544 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.445 ' C ' ' SD ' ' B' ' 78' ' ' MET . 20.6 t -78.2 -174.96 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.787 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.567 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.7 mpt? -143.07 132.7 23.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.133 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 15.4 mm -88.15 118.01 32.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.944 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -76.41 153.1 35.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.199 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.2 t -169.81 158.39 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 1.0 110.769 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -76.23 -153.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.652 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -158.5 -49.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.11 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -81.6 96.45 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.125 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.42 ' CD1' ' C ' ' B' ' 85' ' ' ILE . 2.3 pp -69.51 -2.5 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.685 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -79.07 -33.64 44.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.307 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 63.6 t -71.82 -40.75 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.589 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.57 -46.6 80.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.392 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 39.9 p -70.21 -43.67 70.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.52 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 27.1 ttt -52.5 -28.29 19.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.552 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tt -73.93 -59.3 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 1.0 109.958 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -53.65 -33.61 55.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.245 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -61.83 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.278 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.69 -48.67 30.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.514 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 87.0 mt -76.14 -8.52 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.555 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -82.29 -36.37 27.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.597 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.637 -179.68 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 1.0 110.841 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -87.48 -59.56 2.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.452 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.6 mt -79.08 -30.6 44.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.438 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 17' ' ' THR . 10.5 tp10 -50.57 -43.89 56.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.778 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -67.46 -36.86 82.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 1.0 110.569 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.2 t -68.49 -23.99 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.015 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 41.3 p -82.13 -17.43 46.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.509 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -79.38 -32.93 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.62 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.87 -60.38 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.752 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' CD1' ' B' ' 23' ' ' LEU . 64.2 m-85 -58.03 -42.27 84.99 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.842 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -58.81 -32.94 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.698 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.93 97.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.898 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp -37.38 118.53 0.64 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.457 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.03 -139.0 7.99 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.057 -0.817 . . . . 1.0 111.057 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -78.67 147.64 33.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 1.0 110.714 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.503 ' C ' ' H ' ' A' ' 28' ' ' ARG . 9.1 m-85 -45.3 -38.21 5.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.883 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -49.61 -11.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.503 ' H ' ' C ' ' A' ' 26' ' ' TYR . 62.2 ttt180 -64.77 -52.34 57.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.787 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.5 mt -50.63 -56.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.774 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.9 mtp-105 -45.16 -66.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.891 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.63 -54.54 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.668 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 32' ' ' MET . 1.6 tmt? -49.18 -34.26 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.85 -179.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.72 -67.77 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.056 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.08 -32.54 73.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.731 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.96 -17.38 61.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.43 . . . . 1.0 110.273 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.9 p -80.38 -14.02 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.591 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.9 t -157.36 89.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 1.0 109.756 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 39' ' ' GLU . 4.2 t 179.84 -53.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.28 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' SER . 14.1 mm-40 56.16 107.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 1.0 110.123 -177.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.11 -177.01 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.834 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -69.71 169.46 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.516 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.4 m -80.94 -34.83 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.91 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.36 -58.88 2.11 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.235 -0.746 . . . . 1.0 111.235 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -44.07 -53.99 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 1.0 110.968 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 tt -47.74 -29.08 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.685 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -76.25 -62.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.152 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -56.82 -49.9 74.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.122 -178.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -47.54 -50.35 23.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.877 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.2 17.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.051 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 55.01 76.83 0.24 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 1.0 110.561 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.1 tp -155.46 156.52 35.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.282 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -78.58 113.18 16.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.606 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.53 ' C ' ' H ' ' A' ' 55' ' ' ASN . 22.7 tt0 -48.67 -51.1 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.983 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 p -50.28 -9.16 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.036 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.53 ' H ' ' C ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -81.31 -59.73 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.447 -178.081 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.481 ' CG2' ' N ' ' A' ' 57' ' ' SER . 3.1 m -51.4 -48.63 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.978 -176.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.481 ' N ' ' CG2' ' A' ' 56' ' ' VAL . 58.5 m -42.86 -42.13 3.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.359 . . . . 1.0 111.07 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.728 ' HD1' ' HZ1' ' A' ' 61' ' ' LYS . 1.5 t60 -78.91 -31.25 45.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.643 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -69.36 -54.32 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.175 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -56.64 -46.48 80.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.075 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.728 ' HZ1' ' HD1' ' A' ' 58' ' ' HIS . 7.7 ttpm? -42.02 -61.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.355 -177.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.4 tp -51.7 -70.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.688 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.9 mp -42.49 -53.71 4.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.811 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -44.3 -44.05 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.836 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 14.3 t -69.75 -18.9 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.401 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.474 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 25.5 t -80.29 -7.04 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.952 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 65' ' ' SER . 1.3 m170 78.6 18.74 0.96 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.39 178.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.9 mt -81.36 -81.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 1.0 110.269 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.1 m -77.14 154.62 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.601 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -127.72 128.01 44.65 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.214 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.9 127.01 35.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.958 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -96.08 137.8 34.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.293 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -80.63 105.32 11.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.669 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' SER . 61.0 mt-30 -139.98 125.25 18.85 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.963 0.411 . . . . 1.0 110.985 -178.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 33.52 98.57 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 CA-C-N 115.47 -0.787 . . . . 1.0 112.384 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 52.8 -83.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.673 0.273 . . . . 1.0 111.12 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 75' ' ' GLY . 35.9 p -63.75 -177.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.69 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 77' ' ' SER . 9.9 mmt -128.46 114.19 16.48 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 109.933 -0.395 . . . . 1.0 109.933 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.0 mt -79.06 115.13 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.332 . . . . 1.0 110.706 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -72.96 147.54 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.651 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -160.69 147.03 15.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.716 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -84.99 129.06 34.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.5 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -81.7 -55.3 4.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.585 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' C ' ' H ' ' A' ' 86' ' ' HIS . 37.4 p-10 -81.49 97.85 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.537 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 pt -78.56 15.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.66 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.435 ' N ' ' HD1' ' A' ' 86' ' ' HIS . 0.3 OUTLIER -78.99 -59.77 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.76 -179.49 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 m -53.41 -27.25 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.53 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.11 99.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.74 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 58.9 p -76.66 -23.51 53.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.915 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 61.8 mmm -75.6 -29.09 59.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.668 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.5 tp -73.56 -47.51 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -52.6 -59.49 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.906 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -47.78 -27.72 2.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.741 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.04 75.43 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.527 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.0 mm -76.71 -7.46 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.776 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -83.87 -61.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 1.0 110.631 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.755 -179.641 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.82 0.343 . . . . 1.0 110.587 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.1 p -69.94 -60.38 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.023 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.8 mt -77.88 -22.32 49.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.12 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -58.54 -37.69 76.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 1.0 111.074 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ttm105 -58.03 -58.22 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 1.0 110.937 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 m -64.76 -15.72 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.866 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -80.87 -27.12 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.059 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -72.24 -35.62 68.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.084 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 pt -68.49 -40.66 82.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.448 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -61.71 -42.2 98.62 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.229 -0.588 . . . . 1.0 110.47 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -61.74 -22.33 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.826 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.58 92.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.676 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 16.5 mt -50.86 146.26 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.543 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.2 -104.77 0.33 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.59 -1.004 . . . . 1.0 110.59 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -77.73 130.2 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 1.0 110.473 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' B' ' 28' ' ' ARG . 40.0 p90 -57.33 -33.83 68.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.777 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -46.45 -15.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.73 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' B' ' 26' ' ' TYR . 16.5 mtp180 -63.02 -37.04 85.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.609 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.4 -51.71 64.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.813 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -47.48 -53.43 14.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.131 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 pt -68.9 -41.65 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.175 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.0 mtt -57.55 -36.28 71.42 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.951 -0.3 . . . . 1.0 110.605 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -70.56 -26.72 63.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.885 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' B' ' 38' ' ' SER . 9.7 tp -80.16 -42.5 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.224 -178.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.07 -17.5 61.41 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.687 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 29.7 t -73.08 -18.68 61.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 1.0 110.347 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 t -148.3 56.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.184 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' B' ' 34' ' ' LEU . 11.7 p -174.19 178.81 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.386 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -157.44 121.56 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.071 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.97 -177.71 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -76.92 -173.27 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.547 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 13.5 p -92.78 -41.87 12.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.225 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.419 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -86.78 -21.36 50.89 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.511 -0.636 . . . . 1.0 111.511 -177.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -73.95 -40.38 63.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.724 0.297 . . . . 1.0 110.834 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 pt -69.25 -21.05 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.892 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 27.7 p -78.17 -42.83 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.052 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.46 -52.09 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.95 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -54.83 -49.93 69.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.004 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 34.6 mt -75.84 8.31 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 1.0 111.167 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 62.05 67.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.745 0.307 . . . . 1.0 110.962 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' B' ' 46' ' ' SER . 56.3 mt -136.48 144.94 44.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.876 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.501 ' C ' ' H ' ' B' ' 54' ' ' SER . 30.9 t -78.48 117.96 20.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.617 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -57.65 -3.79 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.058 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.501 ' H ' ' C ' ' B' ' 52' ' ' SER . 13.5 m -86.04 -24.02 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.565 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -92.05 -40.02 11.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.142 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.492 ' CG1' ' H ' ' B' ' 57' ' ' SER . 13.6 p -45.92 -55.95 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.832 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.492 ' H ' ' CG1' ' B' ' 56' ' ' VAL . 8.8 t -42.91 -40.59 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.779 0.323 . . . . 1.0 110.982 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.516 ' N ' ' HD1' ' B' ' 58' ' ' HIS . 1.4 m-70 -74.65 -32.53 62.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.358 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.517 ' O ' ' NE2' ' B' ' 59' ' ' GLN . 0.0 OUTLIER -59.65 -71.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.252 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 63' ' ' LEU . 12.4 mt -43.08 -58.59 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.228 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -37.22 -67.96 0.16 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.825 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp -59.6 -20.16 53.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.696 -178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' B' ' 60' ' ' LEU . 0.2 OUTLIER -82.63 -46.47 13.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.659 -177.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' B' ' 66' ' ' VAL . 61.2 tttm -86.1 -26.43 25.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.081 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -66.05 6.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.763 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.502 ' H ' ' C ' ' B' ' 64' ' ' LYS . 46.6 t -114.53 -1.87 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.477 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.459 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 6.1 m-70 78.13 19.62 1.03 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.992 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 60.3 mt -80.92 -85.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.825 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 m -76.17 161.1 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.17 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -132.2 -163.47 1.34 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.694 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.2 -171.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 1.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -147.5 143.12 27.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.905 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -80.56 116.85 20.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.061 0.458 . . . . 1.0 110.666 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -128.73 91.43 3.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.676 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.24 -141.06 33.45 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -74.35 -37.96 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 1.0 110.661 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 55.2 p -80.21 -172.86 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.671 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 40.3 mtp -147.39 113.24 5.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.102 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.6 mt -85.04 110.04 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.727 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.418 ' O ' ' OG ' ' B' ' 81' ' ' SER . 75.2 m-85 -78.81 154.4 29.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.615 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' B' ' 80' ' ' TYR . 5.7 m -166.61 150.04 7.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.896 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' B' ' 82' ' ' LEU . 7.5 mp -82.39 113.98 20.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.972 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' B' ' 84' ' ' ASP . 7.2 p-10 -78.41 -64.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.713 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.493 ' H ' ' CG ' ' B' ' 83' ' ' ASP . 39.6 p-10 -68.43 99.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.754 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 pt -81.09 9.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.086 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -64.57 -54.46 31.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.801 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.37 -20.14 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.824 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.59 96.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.456 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 47.2 p -73.85 -41.69 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.389 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.8 mmt -58.27 -25.94 62.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.456 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.11 -43.39 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.424 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -65.01 -58.31 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.606 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -45.72 -36.78 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.761 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.16 -54.11 14.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.725 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.404 HG21 HD11 ' B' ' 95' ' ' ILE . 72.4 mt -68.03 -5.44 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.681 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -77.01 -59.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.634 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.404 179.795 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.807 0.336 . . . . 1.0 110.771 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -103.97 -44.09 5.11 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.591 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.3 mt -79.1 -9.89 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.88 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' O ' ' OG1' ' A' ' 17' ' ' THR . 22.0 pt-20 -56.22 -14.97 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.541 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -81.92 -61.62 1.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.005 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.13 -17.51 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.538 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 24.3 p -75.92 -50.09 15.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.476 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -50.94 -19.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.425 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 mt -81.1 -62.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.119 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -57.91 -44.41 86.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.277 -177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -57.19 -49.12 76.99 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.655 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' C ' ' H ' ' A' ' 24' ' ' GLY . . . -47.89 -39.79 19.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 1.0 110.403 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 25' ' ' ASP . 4.5 tp -63.44 9.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 1.0 111.625 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' A' ' 22' ' ' ALA . . . -64.15 68.34 0.05 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' LEU . 12.2 t0 -177.63 159.3 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.77 -0.455 . . . . 1.0 109.77 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.5 ' C ' ' H ' ' A' ' 28' ' ' ARG . 11.6 m-85 -99.68 -52.36 3.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.007 0.432 . . . . 1.0 110.179 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -64.75 3.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.074 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.5 ' H ' ' C ' ' A' ' 26' ' ' TYR . 1.2 tmm_? -53.98 -57.64 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.178 -0.305 . . . . 1.0 110.178 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 29' ' ' ILE . 80.1 mt -65.68 -36.33 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.894 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -51.17 -60.11 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.801 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mm -49.7 -32.76 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.695 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.7 mmt -79.18 -17.57 54.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.087 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -73.68 -35.17 65.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.134 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.5 tp -91.38 -37.43 13.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.757 -178.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 38' ' ' SER . 2.9 tt -67.65 -61.37 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.393 . . . . 1.0 110.475 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 t -43.79 -23.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.07 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.72 -32.2 14.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.078 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 39' ' ' GLU . 21.4 p -164.33 -139.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.688 -0.405 . . . . 1.0 111.122 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.452 ' N ' ' OG ' ' A' ' 38' ' ' SER . 6.8 tp10 -149.94 148.5 29.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.175 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.39 -177.37 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.486 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.523 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 6.7 p -74.91 176.53 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.209 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -78.44 -40.39 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.027 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -82.23 -41.89 9.03 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 20.8 m170 -45.35 -30.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 1.0 110.788 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.6 mt -79.72 -25.68 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.751 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.686 ' HG ' ' H ' ' A' ' 47' ' ' HIS . 47.6 p -67.85 -52.31 38.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.052 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.686 ' H ' ' HG ' ' A' ' 46' ' ' SER . 12.0 m-70 -74.73 -49.62 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.138 -177.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.438 ' C ' ' H ' ' A' ' 50' ' ' ASN . 97.3 mt-30 -58.42 -60.6 3.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.865 0.364 . . . . 1.0 111.056 -178.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.68 2.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.303 -177.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' A' ' 48' ' ' GLN . 14.1 m120 57.94 77.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.556 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 tp -157.97 157.83 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.224 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.6 m -79.24 113.16 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.715 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -52.46 -49.06 65.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.007 0.432 . . . . 1.0 110.684 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -39.52 -34.84 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.271 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -84.05 -43.84 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.479 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.1 t -42.47 -68.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.017 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 t -45.59 -38.57 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.847 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -71.82 -30.19 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.059 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -70.59 -49.12 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.551 -0.295 . . . . 1.0 111.079 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 mt -53.0 -53.53 48.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 1.0 110.999 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -40.12 -54.65 2.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.431 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.421 ' O ' ' OG ' ' A' ' 65' ' ' SER . 10.9 tp -50.71 -55.51 16.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.681 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 7.5 mp -63.06 -57.66 9.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.648 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -46.16 -20.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.998 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 62' ' ' LEU . 12.1 p -81.25 -53.52 6.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.047 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.408 ' N ' ' OG ' ' A' ' 65' ' ' SER . 4.3 m -78.59 22.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.422 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 69.0 t60 61.59 19.73 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.851 0.686 . . . . 1.0 112.851 174.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.7 mt -75.44 -20.04 59.1 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.338 -0.545 . . . . 1.0 110.285 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -150.48 145.55 16.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.198 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 81' ' ' SER . 55.4 tttp -121.44 107.98 13.11 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.269 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.77 134.14 34.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.771 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.77 133.08 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.31 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -114.67 89.21 3.04 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.207 -0.452 . . . . 1.0 109.884 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -104.53 123.02 46.77 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.978 0.418 . . . . 1.0 110.282 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.44 -119.93 17.37 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.314 -0.714 . . . . 1.0 111.314 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -102.34 -35.03 8.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.784 0.326 . . . . 1.0 110.743 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 p -67.35 167.29 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.554 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.0 ptm -151.39 136.59 17.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.398 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.1 mt -142.33 126.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.303 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.424 ' O ' ' OE2' ' A' ' 39' ' ' GLU . 57.9 m-85 -77.29 133.55 38.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 1.0 110.825 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 70' ' ' LYS . 37.9 p -140.54 133.05 28.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.654 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 tp -82.22 102.28 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.089 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 85' ' ' ILE . 8.7 t70 -72.1 -51.62 20.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.58 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.86 83.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.662 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' ASP . 9.8 tp -73.89 -24.88 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.466 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' THR . 16.2 t-80 -67.76 -54.94 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.655 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.6 t -47.49 -22.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.409 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.75 -30.16 45.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' HIS . 42.9 m -75.84 -46.11 32.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.609 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.4 mtm -62.56 -24.07 67.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.674 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.4 -43.53 63.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.608 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.85 -63.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.734 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -45.63 -38.75 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.779 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.52 ' O ' ' CE1' ' A' ' 97' ' ' HIS . . . -63.7 -50.96 67.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.671 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 71.1 mt -78.91 -9.28 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.719 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -77.42 -24.01 50.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.798 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.712 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.032 -0.359 . . . . 1.0 110.032 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -57.61 -41.02 80.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.186 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.47 -35.77 78.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.188 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -64.61 -27.88 69.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.961 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -68.43 -59.28 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 1.0 110.614 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.413 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 18.5 m -57.84 -10.52 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.59 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -82.06 -28.39 32.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.292 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -63.88 -41.86 97.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.9 -40.13 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.05 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 55.7 m-85 -75.46 -41.73 54.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.331 -0.548 . . . . 1.0 110.27 178.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -59.38 -28.5 66.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.336 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.18 95.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.514 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.0 mt -58.52 159.46 6.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.217 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.495 ' N ' ' NH1' ' B' ' 28' ' ' ARG . . . -179.93 -95.93 0.1 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.477 ' C ' ' H ' ' B' ' 27' ' ' ASN . 11.1 m-20 -52.5 102.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 1.0 110.786 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -46.29 -14.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.107 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' B' ' 25' ' ' ASP . 2.3 m-20 -70.65 -7.62 45.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 1.0 110.583 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.495 ' NH1' ' N ' ' B' ' 24' ' ' GLY . 94.2 mtt180 -76.7 -16.5 59.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.68 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mm -79.12 -69.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -41.96 -53.07 3.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.235 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' B' ' 32' ' ' MET . 13.6 tt -56.79 -49.57 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.74 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' MET . . . . . 0.449 ' N ' ' CG2' ' B' ' 31' ' ' ILE . 26.8 ttt -47.31 -36.1 8.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.303 . . . . 1.0 110.762 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -65.87 -27.8 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.444 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.51 -39.41 74.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' B' ' 37' ' ' VAL . 3.5 mm? -54.95 -32.93 61.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 1.0 109.879 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 81.6 p -40.58 -21.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.905 0.383 . . . . 1.0 111.083 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' B' ' 35' ' ' LEU . 27.3 t -94.75 -56.32 5.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.048 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.418 ' HG ' ' CB ' ' B' ' 81' ' ' SER . 3.8 t 68.56 71.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.843 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -172.99 64.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.711 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.04 159.69 26.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.727 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.4 p -71.58 167.5 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.277 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.72 -40.41 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.24 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -80.97 -48.03 6.29 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.468 -0.653 . . . . 1.0 111.468 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -43.52 -39.59 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 1.0 111.126 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.468 ' O ' ' CD2' ' B' ' 49' ' ' LEU . 83.0 mt -64.61 -28.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.082 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 43' ' ' GLY . 5.3 m -65.27 -42.1 93.57 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.006 -0.277 . . . . 1.0 111.373 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.93 -43.1 11.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.283 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -35.75 -68.65 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.448 0.536 . . . . 1.0 112.448 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.526 ' H ' ' CD2' ' B' ' 49' ' ' LEU . 0.8 OUTLIER -93.96 23.85 4.63 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.646 0.239 . . . . 1.0 111.646 -176.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.47 94.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 1.0 110.797 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -159.14 142.05 14.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.451 ' HG ' ' H ' ' B' ' 54' ' ' SER . 10.1 t -75.39 114.48 13.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 1.0 110.603 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -5.45 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.387 . . . . 1.0 111.131 -178.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.451 ' H ' ' HG ' ' B' ' 52' ' ' SER . 64.7 m -85.71 -19.0 31.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.631 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.442 HD21 ' CB ' ' B' ' 52' ' ' SER . 10.1 m-80 -105.28 -18.98 13.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.306 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' B' ' 57' ' ' SER . 8.8 p -71.43 -53.64 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.351 -0.54 . . . . 1.0 110.959 -177.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.479 ' N ' ' CG1' ' B' ' 56' ' ' VAL . 95.5 p -41.3 -55.29 2.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 1.0 111.4 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -63.64 -25.96 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.882 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' B' ' 56' ' ' VAL . 7.9 tt0 -69.18 -47.31 65.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.297 -177.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.83 -49.03 76.53 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.042 -0.263 . . . . 1.0 111.137 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -42.4 -53.11 4.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.848 0.356 . . . . 1.0 110.779 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' B' ' 65' ' ' SER . 46.2 tp -48.89 -68.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.431 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.6 mt -40.85 -45.74 2.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.358 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -63.82 -47.51 80.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.933 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 62' ' ' LEU . 80.7 p -57.67 -35.83 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.272 -177.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' B' ' 67' ' ' HIS . 19.2 t -77.7 -13.26 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.915 -178.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.44 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 2.1 t-80 82.51 14.35 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.328 0.393 . . . . 1.0 111.107 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.4 mt -78.12 -2.3 36.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 177.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' B' ' 70' ' ' LYS . 4.3 p -169.01 162.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.36 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.458 ' N ' ' CG2' ' B' ' 69' ' ' VAL . 33.5 ttmt -151.65 130.47 12.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.349 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.13 133.25 42.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.796 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -89.99 156.26 18.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.367 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -103.4 103.48 13.47 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -98.59 109.68 22.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.767 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' B' ' 76' ' ' GLN . . . 40.67 46.43 3.75 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.78 -0.528 . . . . 1.0 111.78 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' B' ' 75' ' ' GLY . 5.5 tp-100 95.03 -43.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.377 0.671 . . . . 1.0 110.551 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 32.2 t -63.69 178.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.571 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 11.8 ptp -153.13 142.02 21.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.428 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.2 mt -146.26 124.82 4.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.127 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -68.51 144.32 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.655 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.418 ' CB ' ' HG ' ' B' ' 38' ' ' SER . 30.2 t -160.68 139.16 10.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -67.77 122.08 17.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.27 -68.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.553 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.04 104.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.654 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.432 ' CD1' ' N ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -74.66 8.43 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.738 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -85.51 -46.26 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.909 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 10.1 p -72.4 -36.88 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.952 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.69 -46.95 80.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.701 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 5.9 t -75.71 -18.35 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.94 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 27.5 ttt -80.54 -28.1 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 1.0 110.704 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.92 -39.93 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -61.56 -60.61 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.571 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -46.7 -34.02 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.876 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.44 -53.25 24.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.899 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 66.6 mt -79.75 -7.92 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.637 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -77.44 -68.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.702 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.796 -179.486 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.4 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.766 0.317 . . . . 1.0 110.64 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.4 p -68.82 -42.02 77.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.541 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.55 -48.42 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.933 0.397 . . . . 1.0 110.06 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 17' ' ' THR . 35.2 mt-10 -48.71 -25.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.66 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -68.65 -45.34 72.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.585 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.9 -18.99 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.669 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 11.5 p -79.53 -28.34 41.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.107 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.26 -29.91 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.258 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.6 mt -66.82 -67.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.373 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -51.88 -42.56 62.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.572 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -64.26 -13.32 48.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.85 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.79 -50.34 69.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.847 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 10.0 mp -53.48 170.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.33 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.59 -100.26 0.15 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.712 -0.955 . . . . 1.0 110.712 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 40.5 m-20 -79.13 129.23 34.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.689 0.28 . . . . 1.0 110.554 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.517 ' C ' ' H ' ' A' ' 28' ' ' ARG . 6.7 m-85 -42.94 -52.03 5.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.271 -178.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -48.09 -11.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.094 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.517 ' H ' ' C ' ' A' ' 26' ' ' TYR . 58.0 ttt-85 -61.2 -40.11 92.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.778 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.1 mt -78.56 -42.84 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.708 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -53.24 -55.1 27.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.966 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.9 tt -62.14 -37.83 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.835 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 69.7 mtp -68.75 -14.71 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.443 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -72.23 -64.06 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.492 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.8 tp -53.34 -32.69 50.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.355 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.09 -67.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.645 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 m -51.78 -24.5 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.982 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.8 t -85.2 -23.01 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.483 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t -169.95 132.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 1.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -81.85 152.15 27.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.657 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.2 -177.86 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.367 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.517 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 3.0 p -67.2 161.96 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.481 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 43' ' ' GLY . 8.4 p -68.78 -42.87 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.531 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -84.77 -56.67 2.43 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.328 -0.463 . . . . 1.0 112.062 -176.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.53 ' N ' ' HD1' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -40.01 -42.96 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.797 0.295 . . . . 1.0 111.797 -176.239 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.8 pt -61.76 -28.7 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.129 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' GLY . 83.4 p -70.27 -46.04 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.297 -177.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -52.65 33.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.192 -177.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.14 -31.16 70.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.937 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.1 tp -81.82 -9.57 59.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.57 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 62.04 71.88 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.905 0.384 . . . . 1.0 109.993 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -156.86 159.23 37.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.119 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.7 m -80.33 115.41 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.486 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' VAL . 4.0 pt20 -58.44 -46.05 87.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.422 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 53' ' ' GLN . 6.2 m -39.4 -37.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.283 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -81.48 -38.28 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.449 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 59' ' ' GLN . 88.0 t -52.34 -72.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.6 p -42.62 -39.49 2.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.03 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -75.79 -26.48 57.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.664 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' VAL . 47.0 tt0 -71.96 -50.19 31.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.936 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 mt -58.25 -38.29 76.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 1.0 110.498 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -46.2 -46.22 17.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.907 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.97 -66.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.422 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 66' ' ' VAL . 9.9 mp -41.78 -52.14 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.857 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -44.47 -39.24 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 1.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 t -73.16 -24.1 60.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.879 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.469 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 6.8 t -80.57 -7.81 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.787 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 8.4 m-70 75.64 18.58 2.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.52 -0.309 . . . . 1.0 111.198 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -87.71 -24.26 23.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.651 -0.25 . . . . 1.0 110.642 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.9 m -139.32 133.99 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.924 0.392 . . . . 1.0 110.477 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -107.82 131.8 54.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.273 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.71 155.85 19.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.481 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -155.25 138.92 16.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.676 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -97.66 106.07 18.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.25 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -152.72 158.15 41.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 1.0 110.735 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.03 -106.05 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.375 -0.69 . . . . 1.0 111.375 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.37 -72.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 1.0 111.089 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 79' ' ' ILE . 47.9 m -165.55 -167.52 1.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.925 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 51.4 mtt -57.16 77.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.017 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 77' ' ' SER . 78.0 mt -80.62 137.0 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 177.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -88.11 135.88 33.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.755 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 95.5 p -159.68 137.03 9.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.477 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.438 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -74.8 -167.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.839 -179.512 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -157.61 -39.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.55 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -67.96 89.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.411 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.1 tt -58.75 -15.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.636 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -63.18 -55.11 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.518 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.1 t -48.48 -41.82 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.531 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.91 72.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.463 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 31.4 m -74.07 -48.53 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.591 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 34.7 ttm -43.38 -34.76 1.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.132 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' ALA . 35.1 mt -76.11 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.525 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -44.58 -41.13 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.665 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.7 -34.61 78.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.306 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -66.55 -49.41 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.426 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.92 -5.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.469 . . . . 1.0 110.139 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -98.12 -13.02 21.17 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.383 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.65 -179.545 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.817 0.342 . . . . 1.0 110.407 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 78.9 m -74.67 -48.91 23.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.476 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -49.24 -51.89 30.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.216 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.437 ' CD ' ' H ' ' B' ' 14' ' ' GLU . 2.5 mp0 -47.61 -41.19 21.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.703 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 49.7 ttt85 -67.05 -36.95 83.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.644 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.37 -20.77 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.79 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 23.6 p -81.88 -28.47 32.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.163 178.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -65.38 -29.75 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.34 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 61.0 mt -70.38 -60.39 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.568 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -59.61 -39.48 84.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.846 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -75.14 -8.3 56.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.431 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.71 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.42 ' CD1' ' H ' ' B' ' 23' ' ' LEU . 9.0 mp -50.47 165.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.14 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.94 -76.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.56 -176.19 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.733 0.302 . . . . 1.0 110.422 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -100.1 -50.04 4.1 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.944 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -79.73 2.83 21.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.752 -176.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -63.19 -24.07 67.72 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.509 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' B' ' 30' ' ' ARG . 15.4 tt -80.91 -45.16 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.65 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.428 ' N ' ' CG2' ' B' ' 29' ' ' ILE . 36.0 ttp180 -41.36 -46.27 3.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.235 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' B' ' 34' ' ' LEU . 68.0 mt -57.64 -52.07 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.562 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 22.0 ttt -45.05 -40.45 6.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.718 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.58 -34.11 73.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.501 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' B' ' 31' ' ' ILE . 37.2 tp -71.54 -38.54 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.491 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 38' ' ' SER . 12.8 mt -70.67 -48.1 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.903 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.0 m -45.23 -22.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.783 0.325 . . . . 1.0 110.694 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' B' ' 35' ' ' LEU . 91.6 t -82.15 -40.78 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.371 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.429 ' N ' ' O ' ' B' ' 35' ' ' LEU . 14.1 p -176.1 -112.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.357 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -172.75 167.5 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 1.0 110.613 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.93 -177.85 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.622 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.4 t -62.57 159.05 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.45 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 t -72.75 -42.54 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.16 -178.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.426 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -75.02 -48.64 10.93 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.421 -0.671 . . . . 1.0 111.421 -178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -42.88 -63.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 1.0 111.122 -178.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 91.7 mt -39.1 -31.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.614 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 23.0 p -70.61 -47.14 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.433 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.566 ' HE2' ' NE2' ' B' ' 53' ' ' GLN . 23.5 m170 -78.94 -50.05 11.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.555 -176.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -68.8 11.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.969 -0.292 . . . . 1.0 111.319 -177.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' B' ' 47' ' ' HIS . 14.2 tp -133.65 1.2 3.35 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.92 0.39 . . . . 1.0 110.14 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 m120 60.02 63.23 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.707 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 98.1 mt -141.87 161.01 39.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.904 0.383 . . . . 1.0 110.134 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.517 ' C ' ' H ' ' B' ' 54' ' ' SER . 20.4 m -78.44 107.76 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.348 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.566 ' NE2' ' HE2' ' B' ' 47' ' ' HIS . 24.5 pt20 -57.02 -4.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.852 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.517 ' H ' ' C ' ' B' ' 52' ' ' SER . 72.7 m -72.04 -44.85 62.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.531 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -81.94 -37.13 27.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.728 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 95.3 t -41.75 -71.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.213 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.5 m -47.44 -36.47 10.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.975 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' B' ' 54' ' ' SER . 10.3 m-70 -74.14 -24.81 59.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.24 -178.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -74.3 -45.14 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.806 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -56.14 -42.38 76.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 1.0 110.681 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -45.27 -62.22 1.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.927 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 tt -53.24 -66.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.75 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 8.4 mp -43.95 -48.39 8.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.652 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -46.12 -34.21 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.714 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.0 m -81.3 -27.62 34.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.988 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.66 -12.53 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.764 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 t60 78.62 17.47 1.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.285 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.98 -10.06 55.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.758 0.313 . . . . 1.0 110.53 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -153.53 149.95 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.368 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -120.51 -163.2 0.99 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.252 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.28 156.16 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.444 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -154.48 160.92 41.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 1.0 110.51 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -140.01 121.87 15.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.892 -0.595 . . . . 1.0 109.943 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . 0.492 ' C ' ' H ' ' B' ' 76' ' ' GLN . 42.7 tt0 -151.41 88.36 1.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.861 0.362 . . . . 1.0 110.808 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.3 -30.01 0.99 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.492 ' H ' ' C ' ' B' ' 74' ' ' GLN . 82.2 mt-30 -85.88 -104.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.58 0.229 . . . . 1.0 110.415 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 57.1 m -160.64 -167.68 1.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 1.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 53.9 mtt -74.94 75.62 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.398 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 82.4 mt -92.17 117.99 36.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.752 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -75.43 153.52 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.659 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -170.07 -152.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.402 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' B' ' 82' ' ' LEU . 0.6 OUTLIER -157.01 -168.82 2.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.454 179.295 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -159.48 -24.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.216 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 25.0 p-10 -71.25 91.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 1.0 110.793 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 17.9 tt -74.16 -12.24 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.447 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -54.29 -57.22 12.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.874 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.82 -28.96 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.754 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.51 -45.28 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 1.0 110.738 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.556 ' HG1' ' N ' ' B' ' 90' ' ' MET . 30.8 p -70.41 -43.37 70.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.789 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' MET . . . . . 0.556 ' N ' ' HG1' ' B' ' 89' ' ' THR . 71.2 mmm -42.65 -36.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.199 -178.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 24.5 mt -76.23 -43.26 42.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 1.0 110.432 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.32 -55.96 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.684 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -50.32 -30.62 12.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.688 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.501 ' O ' ' ND1' ' B' ' 97' ' ' HIS . . . -74.99 -43.68 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.699 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 77.1 mt -79.87 -10.22 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.603 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -26.57 35.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.529 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.501 ' ND1' ' O ' ' B' ' 94' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.624 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.823 0.344 . . . . 1.0 110.828 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.621 ' HG1' ' N ' ' A' ' 13' ' ' LEU . 47.1 p -56.83 -48.41 78.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.821 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.621 ' N ' ' HG1' ' A' ' 12' ' ' THR . 18.3 mt -81.82 -32.83 31.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.753 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' OG1' ' A' ' 17' ' ' THR . 59.8 tt0 -49.39 -44.26 44.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.735 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.58 -34.11 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.725 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.2 -23.52 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.671 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.423 ' H ' ' HG1' ' A' ' 17' ' ' THR . 13.3 p -77.15 -21.31 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.148 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -77.35 -31.44 54.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.464 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.73 -57.57 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.593 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -59.84 -41.7 91.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.81 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -63.89 -5.09 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.796 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.41 -41.71 27.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 1.0 110.554 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 mt -38.53 120.37 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.323 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.25 -128.57 4.55 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.658 -0.977 . . . . 1.0 110.658 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 26' ' ' TYR . 21.0 t0 -80.69 141.02 35.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.701 0.286 . . . . 1.0 110.485 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.429 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 23.0 m-85 -46.44 -29.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.98 -178.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.402 ' OD1' ' NH2' ' A' ' 30' ' ' ARG . 22.6 m-80 -60.89 -6.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 1.0 110.67 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' A' ' 26' ' ' TYR . 57.6 ttt-85 -62.23 -48.97 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.137 -178.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 30' ' ' ARG . 10.4 tp -53.25 -48.0 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.746 -178.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.467 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 41.5 ttp180 -44.68 -53.15 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.794 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' LEU . 80.0 mt -67.74 -54.78 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.75 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 32' ' ' MET . 1.9 tmt? -43.29 -29.51 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.033 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -75.75 -36.77 59.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.627 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' ILE . 32.3 tp -60.4 -37.1 79.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.507 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 3.3 mm? -65.46 -45.41 83.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.185 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -46.33 -25.03 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.361 . . . . 1.0 110.585 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.434 ' O ' ' OG ' ' A' ' 38' ' ' SER . 12.5 t -84.92 -50.73 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.987 -179.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 47.5 m -167.66 -131.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.609 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 1.6 pm0 -154.12 160.99 42.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.351 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.36 -177.77 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.587 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.667 ' HG ' ' CG ' ' A' ' 44' ' ' HIS . 14.1 p -76.58 174.6 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.378 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -73.02 -42.07 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.079 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.3 -49.85 7.98 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.538 -0.625 . . . . 1.0 111.538 -178.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.667 ' CG ' ' HG ' ' A' ' 41' ' ' SER . 39.5 m170 -43.02 -53.67 4.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 1.0 110.968 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.401 HG22 HD11 ' A' ' 45' ' ' ILE . 95.2 mt -54.03 -33.97 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.842 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 m -69.94 -71.84 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 1.0 111.203 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -57.08 -48.16 79.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.204 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -37.23 -68.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 1.0 112.037 -176.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.469 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 0.6 OUTLIER -97.36 38.29 1.28 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 122.335 -0.228 . . . . 1.0 111.517 -178.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 49' ' ' LEU . 8.2 p30 45.88 98.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.275 0.559 . . . . 1.0 111.756 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' CD1' ' NH2' ' A' ' 30' ' ' ARG . 6.9 tp -164.3 152.31 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.472 -0.785 . . . . 1.0 109.508 176.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.4 p -80.37 114.28 19.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.721 0.296 . . . . 1.0 111.125 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -66.22 -2.46 4.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.813 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 t -70.64 -46.37 63.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.611 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 59' ' ' GLN . 35.7 t30 -79.35 -35.29 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.785 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.5 t -45.58 -76.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.879 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.6 p -42.8 -44.88 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.239 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.418 ' N ' ' HD1' ' A' ' 58' ' ' HIS . 0.7 OUTLIER -73.13 -24.79 60.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.826 -179.046 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 55' ' ' ASN . 7.8 tt0 -73.0 -51.89 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.905 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.27 -31.7 72.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.34 . . . . 1.0 110.664 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -51.77 -58.5 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.571 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.4 tp -47.96 -56.45 7.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.465 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 7.7 mp -52.19 -48.93 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.716 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.445 ' CB ' ' HZ3' ' A' ' 64' ' ' LYS . 7.8 ttpm? -45.92 -50.01 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 1.0 110.905 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 m -65.66 -32.67 74.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.797 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.1 t -76.57 -7.32 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.658 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.6 m80 68.15 17.08 9.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.726 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.99 -9.85 58.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.033 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -152.03 147.13 15.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.402 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -96.89 128.52 43.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.158 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.8 103.05 15.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.931 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' ILE . 81.7 tttt -92.49 119.29 31.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.727 -0.471 . . . . 1.0 109.727 177.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -140.48 123.97 16.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.097 0.475 . . . . 1.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' GLN . 8.3 tt0 -89.94 121.93 32.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.868 -0.605 . . . . 1.0 109.644 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.07 -94.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' GLN . 24.8 mt-30 -125.41 87.7 2.74 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.9 t -173.69 124.4 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.3 mtt -87.12 121.08 29.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.085 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 72' ' ' LYS . 10.5 mt -146.36 100.34 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.144 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -82.03 146.51 29.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 1.0 110.926 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.9 p -165.64 149.61 8.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.804 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.38 120.23 28.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.48 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -84.15 -13.56 52.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -76.19 146.25 39.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.516 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.401 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 2.1 pp -111.51 0.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.298 178.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -89.44 -61.57 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.643 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.2 t -45.6 -48.49 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.753 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.94 -52.62 23.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.993 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.9 p -72.57 -46.87 52.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.739 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 90' ' ' MET . 1.5 tmt? -47.08 -27.39 1.35 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.456 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 tp -72.67 -55.21 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 96' ' ' HIS . 0.7 OUTLIER -56.82 -47.55 80.02 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 178.41 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -48.08 -37.39 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.91 -51.36 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.486 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.4 mt -76.28 -6.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.446 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 92' ' ' LYS . 69.1 t60 -71.94 -45.33 61.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.37 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 74.2 t60 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.521 179.633 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.803 0.335 . . . . 1.0 110.75 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.2 p -70.0 -37.14 75.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.555 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 tp -52.64 -48.4 66.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.98 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -47.71 -28.6 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -82.07 -24.26 35.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.969 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.5 t -74.82 -27.03 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.967 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.0 t -81.9 -29.93 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.139 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -59.49 -38.99 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.191 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.77 -68.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.409 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -50.9 -40.96 58.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.673 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -59.14 -32.84 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.9 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.23 -44.84 79.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.845 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 tp -37.6 113.69 0.28 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.477 -178.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.87 -139.54 8.21 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.97 141.31 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 1.0 110.713 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.523 ' CE2' ' OD1' ' B' ' 27' ' ' ASN . 29.9 p90 -47.44 -22.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.767 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.523 ' OD1' ' CE2' ' B' ' 26' ' ' TYR . 30.8 m-20 -59.95 -9.56 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 1.0 110.407 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -68.92 -37.52 78.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.796 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mt -58.78 -63.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.596 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -43.11 -46.0 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.81 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.68 -57.29 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.436 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 36.0 tpp -48.88 -37.9 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.847 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.17 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.729 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 56.3 tp -46.34 -27.76 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.481 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.2 OUTLIER -60.48 -34.38 73.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.106 0.479 . . . . 1.0 109.926 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.5 t -40.65 -21.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.279 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' B' ' 35' ' ' LEU . 2.1 p -175.36 86.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.331 0.586 . . . . 1.0 110.1 178.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 29.2 m -171.88 179.99 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.643 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -174.59 124.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.314 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.33 -177.61 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 1.0 110.825 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.1 p -78.68 -177.74 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.502 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.407 ' O ' ' OG ' ' B' ' 46' ' ' SER . 27.7 t -77.87 -33.93 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.737 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.39 -51.11 4.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.137 -0.785 . . . . 1.0 111.137 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -44.79 -65.65 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 1.0 110.875 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.8 tt -50.29 -36.27 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.639 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' B' ' 42' ' ' VAL . 30.9 m -72.78 -67.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.175 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -52.66 -51.19 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.237 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.511 ' C ' ' H ' ' B' ' 50' ' ' ASN . 80.5 mm-40 -48.92 -63.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.058 -178.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.74 13.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.281 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' B' ' 48' ' ' GLN . 2.0 m120 60.36 65.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 1.0 111.115 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 mt -136.21 148.71 48.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.87 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.513 ' C ' ' H ' ' B' ' 54' ' ' SER . 20.1 t -77.02 106.04 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.162 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -58.53 -2.76 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.005 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.513 ' H ' ' C ' ' B' ' 52' ' ' SER . 20.5 t -76.88 -43.74 34.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.419 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' B' ' 59' ' ' GLN . 49.2 t30 -82.67 -40.93 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.648 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' B' ' 59' ' ' GLN . 63.9 t -45.34 -74.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.806 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 57.6 p -46.01 -41.09 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.686 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -70.93 -20.3 62.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.73 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' B' ' 56' ' ' VAL . 10.9 tt0 -78.97 -42.42 26.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.781 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.3 mt -59.3 -39.91 84.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.405 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.29 -56.28 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.609 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 tt -49.24 -70.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.213 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.445 ' CD1' ' H ' ' B' ' 63' ' ' LEU . 10.0 mp -41.76 -51.08 4.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.831 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.422 ' NZ ' ' CB ' ' B' ' 64' ' ' LYS . 2.6 ttmp? -50.11 -39.32 42.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 1.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -72.34 -23.42 61.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.666 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 43.5 t -77.23 -5.08 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.584 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 38.9 t60 68.68 11.8 8.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.0 tt -82.07 -74.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.802 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 24.6 t -85.17 155.82 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.625 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.675 ' HZ3' ' H ' ' B' ' 83' ' ' ASP . 23.4 pttm -139.17 -163.54 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.04 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -164.38 -166.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.411 . . . . 1.0 110.815 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -153.21 143.3 22.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.043 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -88.22 114.77 25.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.98 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -118.64 88.84 3.0 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.74 -130.83 23.19 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.312 -1.115 . . . . 1.0 110.312 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -81.25 -28.59 34.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 1.0 110.547 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -75.73 -174.61 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.933 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.2 ttt -163.78 96.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.882 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 16.6 mt -82.96 120.88 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.126 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -79.05 157.4 28.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.4 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 19.6 t -168.76 178.67 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.985 0.421 . . . . 1.0 111.155 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.9 tp -156.29 102.44 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.841 -0.618 . . . . 1.0 109.654 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.675 ' H ' ' HZ3' ' B' ' 70' ' ' LYS . 25.0 t0 -77.18 4.31 10.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.814 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.43 ' C ' ' H ' ' B' ' 86' ' ' HIS . 31.3 t70 -80.89 87.23 5.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 1.0 110.631 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 25.1 pt -73.59 8.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.53 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' B' ' 84' ' ' ASP . 56.1 t-80 -81.95 -48.14 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.666 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 12.4 p -77.78 -36.56 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.676 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.34 -55.33 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.525 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 3.4 t -63.41 -40.35 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.715 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 10.8 ttt -44.18 -34.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.945 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 94' ' ' ALA . 16.8 mt -73.83 -57.95 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.258 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -47.82 -27.88 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.278 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -69.78 -33.55 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.529 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -67.2 -44.55 79.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.417 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.525 ' CD1' ' N ' ' B' ' 95' ' ' ILE . 1.8 mp -75.52 -6.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.087 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -71.14 -64.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 1.0 110.288 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.112 178.767 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.655 0.264 . . . . 1.0 110.752 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.7 m -81.53 -69.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.502 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 15' ' ' ARG . 2.4 tt -56.93 -45.38 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.502 . . . . 1.0 109.8 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -43.71 -17.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.932 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 13' ' ' LEU . 10.0 tpt180 -64.47 -57.65 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.314 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.8 t -57.69 -18.7 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.532 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 m -79.59 -28.11 41.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.513 . . . . 1.0 109.824 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.78 -33.4 72.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.294 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.4 mt -66.58 -69.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.495 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -50.99 -41.7 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.675 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.92 -28.55 57.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.684 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.44 86.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.732 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 3.5 mm? -49.75 142.78 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 1.0 109.918 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.57 -126.77 1.58 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.784 -0.926 . . . . 1.0 110.784 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.46 132.54 54.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 1.0 110.722 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -68.98 -12.59 61.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.847 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -68.32 -20.09 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 1.0 110.462 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -64.46 -33.69 76.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.783 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.4 -52.25 54.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.511 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -47.46 -41.49 20.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.754 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 mt -64.39 -61.82 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.428 ' O ' ' OG ' ' A' ' 36' ' ' SER . 62.5 mtt -46.2 -24.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.779 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -73.87 -32.4 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.969 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.97 -41.69 10.98 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.062 0.458 . . . . 1.0 110.227 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 tp -74.94 -57.63 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.459 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 32' ' ' MET . 2.9 m -52.11 -14.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.244 0.461 . . . . 1.0 112.244 -175.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.4 m -102.83 -23.44 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 122.4 -0.188 . . . . 1.0 111.221 -178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 m -156.29 145.49 20.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.868 0.366 . . . . 1.0 110.749 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.4 143.9 29.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.751 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.82 -178.72 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.347 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.2 p -77.59 176.8 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.735 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 p -78.56 -38.48 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.873 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -85.63 -56.98 2.26 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.246 -0.742 . . . . 1.0 111.246 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.42 -41.84 4.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.316 . . . . 1.0 110.961 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.8 tt -70.75 -30.31 41.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.552 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' GLY . 29.6 p -76.36 -58.28 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.916 -179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.516 ' CD2' ' OE1' ' A' ' 53' ' ' GLN . 34.2 m80 -50.52 -51.73 44.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.791 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -55.06 -45.77 75.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.086 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.93 4.81 11.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.255 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 60.22 60.55 2.03 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.886 -0.326 . . . . 1.0 111.051 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 mt -133.39 151.91 51.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.972 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 54' ' ' SER . 18.0 m -78.53 107.12 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.594 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.598 ' H ' ' NE2' ' A' ' 53' ' ' GLN . 1.8 pm0 -57.24 -3.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.795 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 52' ' ' SER . 7.0 m -77.8 -44.64 26.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.498 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -79.07 -37.07 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.584 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.1 t -44.31 -66.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 t -43.34 -36.97 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -77.7 -30.94 52.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.74 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' VAL . 54.8 mt-30 -67.65 -54.22 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.768 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 mt -50.3 -45.75 54.85 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.619 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -37.79 -51.58 1.27 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.508 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.9 tp -58.39 -55.27 37.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.743 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.418 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.8 mp -53.48 -52.82 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.518 -176.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -32.69 71.73 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.817 -177.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -81.06 8.79 7.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.461 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.402 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 61.6 t -126.06 -3.98 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.065 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 71.09 16.65 6.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.884 0.373 . . . . 1.0 110.383 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tp -80.89 -14.95 57.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.2 t -149.44 133.16 8.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.632 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -96.96 107.28 19.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.197 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.56 160.21 17.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.513 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -150.3 150.05 30.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.176 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 123.62 18.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.023 0.44 . . . . 1.0 110.277 -179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -160.26 81.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.051 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.86 -175.36 20.62 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.774 -1.33 . . . . 1.0 109.774 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -56.13 -65.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.619 -0.432 . . . . 1.0 109.893 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.446 ' C ' ' SD ' ' A' ' 78' ' ' MET . 51.6 p -70.9 -169.45 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.462 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 77' ' ' SER . 2.1 mpt? -140.51 157.26 45.76 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.345 -0.389 . . . . 1.0 109.992 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.6 mt -146.47 107.4 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.624 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 6.6 p90 -108.84 152.29 25.09 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.017 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 80' ' ' TYR . 4.1 m -167.18 174.05 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 1.0 110.715 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 7.9 mp -83.17 -172.42 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 1.0 109.915 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -159.65 -50.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.57 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.9 102.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.9 pt -73.09 4.23 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.584 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -81.03 -47.24 13.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.711 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.09 -39.44 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.007 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.1 -50.69 63.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.764 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.4 m -67.36 -40.31 85.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.843 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 90' ' ' MET . 12.8 tmm? -45.87 -31.84 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.588 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.6 -62.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.106 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 68.2 mttm -50.12 -36.88 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.464 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.99 -22.86 67.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.385 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.02 -47.52 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.502 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 63.9 mt -74.16 -6.35 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.178 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 92' ' ' LYS . 1.9 m-70 -81.77 -46.88 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.868 -179.012 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.866 0.365 . . . . 1.0 110.654 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' B' ' 15' ' ' ARG . 20.5 p -67.43 -40.75 85.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.857 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 15' ' ' ARG . 22.6 tp -51.22 -55.06 20.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 1.0 110.799 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.427 ' O ' ' OG1' ' B' ' 17' ' ' THR . 7.1 tp10 -41.09 -24.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.702 0.287 . . . . 1.0 111.524 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' B' ' 13' ' ' LEU . 18.9 mmm180 -57.94 -61.31 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.025 -0.27 . . . . 1.0 111.469 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.523 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 3.9 m -61.85 -19.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.981 -177.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 16.1 p -77.08 -18.66 57.87 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.006 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -80.27 -44.08 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.075 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 13.2 pt -61.52 -41.55 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.321 -176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 30.0 m-85 -74.97 -45.16 44.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.41 -0.516 . . . . 1.0 110.526 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -64.07 -16.48 61.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 1.0 110.539 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.37 82.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.472 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 41.6 mt -52.8 166.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.502 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.478 ' N ' ' NH1' ' B' ' 28' ' ' ARG . . . -160.69 -26.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -153.89 128.98 9.63 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.932 -0.395 . . . . 1.0 109.932 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' B' ' 27' ' ' ASN . 44.8 p90 -59.93 -43.59 94.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.988 -178.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.621 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 34.1 p30 -46.02 -16.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.125 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.478 ' NH1' ' N ' ' B' ' 24' ' ' GLY . 99.4 mtt180 -65.45 -16.39 63.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.967 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' B' ' 30' ' ' ARG . 21.3 tt -73.85 -48.7 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.481 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.47 ' N ' ' CG2' ' B' ' 29' ' ' ILE . 79.5 mtt85 -44.19 -54.92 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.953 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.9 pt -66.27 -31.6 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.726 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 18.1 ttt -62.91 -45.77 90.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.839 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -55.11 -50.74 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.647 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.427 ' O ' ' OG ' ' B' ' 38' ' ' SER . 9.9 tp -64.36 -38.86 92.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.698 -179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.2 OUTLIER -66.31 -50.15 64.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 1.0 109.972 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.7 t -44.6 -15.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.197 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.5 p -162.71 75.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.548 0.69 . . . . 1.0 111.142 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 34' ' ' LEU . 91.5 p -173.65 -165.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.478 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -171.52 114.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.013 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.98 -177.67 5.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.786 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.6 t -74.49 -176.27 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.229 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 26.2 m -86.61 -29.37 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.63 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -91.54 -53.18 2.17 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.272 -0.731 . . . . 1.0 111.272 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.569 ' ND1' ' N ' ' B' ' 44' ' ' HIS . 1.1 m-70 -42.98 -32.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 1.0 111.339 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.6 pt -77.71 -26.84 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.951 -178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.49 ' N ' ' O ' ' B' ' 43' ' ' GLY . 15.2 m -74.95 -51.38 13.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.102 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -64.28 -52.58 57.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.937 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -54.8 -46.45 74.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.135 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -76.83 8.95 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.621 -0.263 . . . . 1.0 110.82 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 61.37 56.78 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.294 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 97.3 mt -136.05 158.2 44.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.938 0.399 . . . . 1.0 110.489 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.532 ' C ' ' H ' ' B' ' 54' ' ' SER . 58.6 m -80.55 109.54 15.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.438 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.523 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 5.6 pm0 -57.77 -1.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 1.0 111.183 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.532 ' H ' ' C ' ' B' ' 52' ' ' SER . 4.4 m -78.13 -44.77 25.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.707 0.289 . . . . 1.0 110.73 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -81.84 -37.95 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.941 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' B' ' 59' ' ' GLN . 96.4 t -43.64 -65.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.055 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.6 m -41.66 -35.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.494 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -76.87 -24.5 52.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.59 -0.277 . . . . 1.0 111.066 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' B' ' 56' ' ' VAL . 20.6 mt-30 -66.72 -50.54 62.47 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.81 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.96 -42.64 90.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 1.0 110.731 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -44.78 -55.4 5.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.657 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 59.2 tp -48.76 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.112 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.488 ' CD1' ' H ' ' B' ' 63' ' ' LEU . 9.8 mp -42.0 -56.84 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.015 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -42.28 -32.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.226 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 29.1 m -83.24 -31.69 26.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.215 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.466 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 13.1 t -77.36 -6.27 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.084 -177.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.466 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 11.2 m-70 75.24 21.29 1.9 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.693 -0.23 . . . . 1.0 111.523 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 29.5 mt -89.87 -5.14 57.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.758 -0.201 . . . . 1.0 110.839 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 30.7 m -149.6 139.1 15.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.89 0.376 . . . . 1.0 110.755 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -114.65 117.55 31.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.893 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.45 121.8 32.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.087 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.422 ' N ' ' CD ' ' B' ' 72' ' ' LYS . 1.9 mptp? -89.95 138.08 31.8 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 177.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -137.79 104.58 5.33 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.98 0.419 . . . . 1.0 110.796 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . 0.405 ' N ' ' CD ' ' B' ' 74' ' ' GLN . 4.2 mp0 -90.3 124.79 35.18 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.212 -0.662 . . . . 1.0 109.212 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.54 -103.57 0.06 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.209 -1.156 . . . . 1.0 110.209 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.428 ' O ' ' OG ' ' B' ' 77' ' ' SER . 79.5 mt-30 -124.12 88.52 2.92 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 177.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 76' ' ' GLN . 44.2 m -171.31 107.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.539 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 69.0 mtp -86.65 121.59 29.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.845 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.01 117.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.25 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -79.55 139.46 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.035 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 7.9 t -154.21 131.76 11.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 40.8 tp -96.07 112.59 24.28 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.806 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -44.57 -29.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.87 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' B' ' 88' ' ' ALA . 33.7 t0 35.79 92.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.659 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 6.4 tp -111.47 -48.98 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 110.061 -0.348 . . . . 1.0 110.061 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -107.12 -42.81 4.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.479 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 91.3 t -45.29 -42.94 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.698 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' B' ' 84' ' ' ASP . . . -42.44 -64.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.345 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.416 ' O ' ' N ' ' B' ' 92' ' ' LYS . 70.2 p -74.23 -52.27 12.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.921 -178.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 39.0 ttm -41.72 -38.05 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.345 -0.388 . . . . 1.0 111.436 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.89 -36.61 56.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 1.0 110.234 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' B' ' 89' ' ' THR . 33.7 ttmt -63.21 -61.26 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.449 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -46.86 -37.14 8.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.584 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.76 -49.14 74.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.615 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 93.8 mt -74.76 -7.98 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.71 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -83.12 -24.29 32.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 1.0 110.469 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.697 -179.542 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.526 ' CG ' HH12 ' A' ' 15' ' ' ARG . 29.7 t70 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.848 0.356 . . . . 1.0 110.248 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.3 m -60.38 -51.42 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.423 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -55.46 -42.81 74.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.536 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -48.34 -27.4 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.842 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.526 HH12 ' CG ' ' A' ' 11' ' ' ASP . 59.3 mmt-85 -66.53 -61.01 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.241 -178.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 p -70.51 -22.23 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 1.0 110.71 -178.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 m -73.12 -38.7 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.705 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.25 -41.9 94.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.609 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.4 mm -47.43 -65.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -50.04 -41.47 47.73 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.524 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -59.67 -52.42 65.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.769 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.33 -43.92 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.652 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tt -37.32 115.56 0.41 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.307 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.73 -148.82 11.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ASN . 6.1 m-20 -66.35 144.47 56.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 1.0 110.51 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.504 ' C ' ' H ' ' A' ' 28' ' ' ARG . 14.0 m-85 -41.45 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.285 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ASP . 87.3 m-20 -59.61 -3.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.525 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 26' ' ' TYR . 63.2 ttt-85 -67.13 -35.14 79.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.644 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.416 HD13 HG22 ' A' ' 29' ' ' ILE . 15.9 mm -67.91 -58.01 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.687 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -37.23 -60.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.616 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.15 -52.22 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.834 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.9 tpt -44.69 -33.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.531 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -64.83 -76.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.497 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.6 tp -55.49 -32.5 62.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.528 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' C ' ' N ' ' A' ' 37' ' ' VAL . 36.2 tp -63.89 -30.13 71.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.144 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.4 p -47.87 -16.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.288 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.465 ' N ' ' C ' ' A' ' 35' ' ' LEU . 4.5 p -178.04 105.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.758 -0.655 . . . . 1.0 109.942 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' GLU . 99.6 p -163.36 -48.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.922 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' SER . 70.2 mm-40 51.02 97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.155 -0.313 . . . . 1.0 110.155 -178.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -159.37 -177.62 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.782 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -69.27 166.73 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.596 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 t -77.15 -37.39 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.916 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.92 -62.08 1.87 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.373 -0.691 . . . . 1.0 111.373 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.587 ' H ' ' ND1' ' A' ' 44' ' ' HIS . 1.3 m-70 -42.45 -56.2 3.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.718 0.294 . . . . 1.0 111.288 -178.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.0 tt -43.6 -27.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.135 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -80.05 -44.43 20.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.106 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -54.39 -56.85 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.455 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -66.1 -31.55 72.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 1.0 110.695 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.3 tp -75.02 -13.51 60.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.286 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.39 80.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.483 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.68 156.66 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.197 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 54' ' ' SER . 39.6 m -79.14 111.89 15.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.621 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.03 -1.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.592 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 52' ' ' SER . 47.7 t -72.45 -41.89 65.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.463 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' GLN . 7.9 m-80 -81.91 -33.15 30.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.721 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 59' ' ' GLN . 93.0 t -46.11 -74.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.703 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.4 t -41.26 -40.77 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.33 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -76.2 -27.78 57.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.548 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 56' ' ' VAL . 57.0 tt0 -65.3 -60.29 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.917 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.07 -36.89 73.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.697 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -44.91 -56.06 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.828 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' O ' ' OG ' ' A' ' 65' ' ' SER . 2.3 tt -56.04 -64.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.508 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.7 mp -46.17 -55.45 7.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.563 -178.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.29 -26.68 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.607 -0.269 . . . . 1.0 111.176 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 62' ' ' LEU . 11.4 p -67.94 -31.7 71.63 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.837 -0.345 . . . . 1.0 111.024 -178.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 m -108.97 29.46 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.888 -178.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 55.72 19.41 3.38 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.741 0.645 . . . . 1.0 112.741 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.6 mt -74.26 -17.39 60.87 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.241 -0.584 . . . . 1.0 110.004 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -151.17 129.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.203 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -100.45 135.14 42.35 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.646 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 157.41 18.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.306 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -154.24 143.6 21.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.958 0.408 . . . . 1.0 110.622 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.54 125.16 19.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.712 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' A' ' 76' ' ' GLN . 56.7 mt-30 -146.47 80.15 1.55 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.936 -178.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.18 -29.16 1.92 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.33 -0.708 . . . . 1.0 111.33 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.433 ' H ' ' C ' ' A' ' 74' ' ' GLN . 67.0 mt-30 -82.41 -98.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.755 0.312 . . . . 1.0 110.49 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.655 ' HG ' ' H ' ' A' ' 78' ' ' MET . 12.0 t -158.99 -174.85 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.4 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.655 ' H ' ' HG ' ' A' ' 77' ' ' SER . 16.1 ttt -75.73 75.75 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.474 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.8 pt -97.86 135.39 32.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.406 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -79.11 162.43 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.842 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 t -154.5 127.98 8.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.631 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 tt -80.47 114.21 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.293 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -69.41 -58.51 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.567 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.18 78.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.613 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.9 tt -65.54 -26.12 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.751 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -51.94 -20.36 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.811 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.87 -37.38 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.762 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.45 -53.94 38.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.271 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -43.73 68.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.964 -178.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.8 tpp -55.56 -25.68 39.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.735 0.303 . . . . 1.0 110.89 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' ALA . 3.2 tt -73.71 -55.64 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 1.0 110.278 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -42.19 -48.89 4.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.992 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -56.64 -37.26 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.497 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -60.59 -52.29 65.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.649 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mm -60.0 -10.54 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.891 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -102.1 -7.05 22.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.775 0.321 . . . . 1.0 110.33 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.827 -179.134 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.774 0.321 . . . . 1.0 110.74 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.1 p -60.79 -48.83 80.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.554 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 16' ' ' VAL . 11.4 tp -67.94 -36.02 79.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.09 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -45.39 -44.85 12.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.748 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -53.88 -31.54 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.207 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' B' ' 13' ' ' LEU . 8.7 t -77.92 -24.78 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.434 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.4 m -74.67 -19.3 60.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.556 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -85.74 -58.12 2.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.335 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' B' ' 20' ' ' PHE . 15.1 tt -43.66 -45.75 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.578 -0.283 . . . . 1.0 111.269 -177.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.437 ' N ' ' CG2' ' B' ' 19' ' ' ILE . 38.8 m-85 -70.43 -40.46 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.358 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -58.49 -28.91 65.82 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.499 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.73 -43.41 47.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.361 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 mt -52.6 146.62 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.406 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.84 -120.65 0.96 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -49.35 111.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 1.0 110.549 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.419 ' C ' ' H ' ' B' ' 28' ' ' ARG . 13.6 m-85 -50.27 -33.39 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.888 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -61.13 -5.42 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.928 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.419 ' H ' ' C ' ' B' ' 26' ' ' TYR . 9.4 ptm180 -64.61 -27.12 68.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.032 -178.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' B' ' 30' ' ' ARG . 17.8 tt -65.19 -47.86 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.784 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.421 ' N ' ' CG2' ' B' ' 29' ' ' ILE . 13.7 mtp-105 -50.1 -36.78 30.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.738 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.6 mt -77.19 -60.73 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.714 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.7 mmt -45.81 -38.91 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.882 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -63.35 -41.41 98.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.757 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.07 -35.45 75.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.353 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 37' ' ' VAL . 16.3 mt -67.96 -26.1 65.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.904 -178.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -45.01 -22.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 1.0 110.744 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' B' ' 35' ' ' LEU . 6.4 p -171.29 74.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 1.0 110.307 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.7 p -173.27 -170.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.535 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -178.31 128.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.256 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.36 -179.77 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 1.0 110.827 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.8 p -69.9 174.71 4.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.86 -17.95 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.419 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -99.97 -68.07 0.86 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' B' ' 46' ' ' SER . 69.0 m-70 -44.19 -48.1 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 1.0 111.046 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 tt -44.19 -21.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.846 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.433 ' N ' ' O ' ' B' ' 44' ' ' HIS . 55.4 p -93.86 -41.26 9.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.932 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -60.62 -51.87 67.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.033 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -54.45 -44.97 72.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.119 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 25.8 mt -77.61 14.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.973 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 59.92 12.72 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 1.0 110.698 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 tt -83.58 139.55 32.79 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.537 ' C ' ' H ' ' B' ' 54' ' ' SER . 57.7 p -76.05 127.19 32.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.426 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 1.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.654 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.537 ' H ' ' C ' ' B' ' 52' ' ' SER . 48.5 m -71.93 -31.92 66.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.728 0.299 . . . . 1.0 110.845 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.549 ' C ' ' H ' ' B' ' 57' ' ' SER . 59.1 m-20 -87.53 -45.27 10.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.24 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.43 -2.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.803 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.549 ' H ' ' C ' ' B' ' 55' ' ' ASN . 21.6 t -84.65 -64.95 1.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.055 0.455 . . . . 1.0 110.158 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.26 -5.56 52.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.978 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -59.87 -76.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 1.0 110.675 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.42 -30.51 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.862 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -49.74 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 1.0 110.768 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.432 ' O ' ' OG ' ' B' ' 65' ' ' SER . 19.3 tp -53.99 -62.18 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.719 -178.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 8.2 mp -46.82 -59.05 3.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.231 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -53.48 -16.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.903 -0.319 . . . . 1.0 110.997 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' B' ' 62' ' ' LEU . 3.7 p -84.77 -5.99 59.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.268 -178.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 m -133.42 27.73 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.479 0.18 . . . . 1.0 110.965 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 40.3 m80 57.11 22.12 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.887 0.699 . . . . 1.0 112.887 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -76.48 -15.23 59.95 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.424 -0.51 . . . . 1.0 110.215 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.1 m -154.88 149.72 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.457 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.481 ' CG ' ' N ' ' B' ' 71' ' ' ALA . 32.4 ttpt -106.99 164.79 11.85 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.006 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' B' ' 70' ' ' LYS . . . -153.78 118.29 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 1.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -80.63 137.83 36.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.021 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -139.4 87.22 2.17 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.212 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' B' ' 76' ' ' GLN . 9.1 tp-100 -79.84 131.16 35.82 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.782 -0.822 . . . . 1.0 108.782 174.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.31 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.169 -1.172 . . . . 1.0 110.169 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' B' ' 74' ' ' GLN . 2.5 pt20 -139.33 92.31 2.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.881 0.372 . . . . 1.0 110.199 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.5 m -165.17 113.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.37 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.1 mtp -82.98 90.71 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.994 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 mm -108.85 90.16 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.207 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -71.13 137.82 49.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 1.0 110.659 -179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 70' ' ' LYS . 7.6 t -159.47 147.96 17.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.745 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.08 -146.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -172.4 -56.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.483 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 84' ' ' ASP . 38.7 p-10 -70.75 97.7 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.324 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.466 ' C ' ' N ' ' B' ' 87' ' ' VAL . 14.5 tt -68.64 -41.04 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.284 -177.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -46.82 -15.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 1.0 110.653 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.466 ' N ' ' C ' ' B' ' 85' ' ' ILE . 91.3 t -85.6 -35.85 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.631 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 85' ' ' ILE . . . -64.39 -43.3 94.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.845 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 9.4 t -70.33 -42.12 72.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.57 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.9 tpt -55.32 -27.19 45.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -68.54 -61.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.238 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -53.33 -37.05 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.548 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.533 ' NE2' ' NE2' ' B' ' 97' ' ' HIS . 9.2 tm0? -55.12 -32.88 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.259 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.37 -43.03 61.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.503 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.2 mm -72.18 -4.88 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.568 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -82.58 -57.91 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.588 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.533 ' NE2' ' NE2' ' B' ' 93' ' ' GLN . 14.1 m170 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.531 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 11' ' ' ASP . 36.2 t0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.898 0.38 . . . . 1.0 110.505 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.3 m -60.19 -47.22 86.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.32 -37.95 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.279 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -51.26 -44.4 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.478 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -61.17 -40.14 92.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.614 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.87 -22.21 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.607 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.3 m -78.83 -25.07 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.311 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -72.81 -27.9 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.814 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.64 -47.99 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.004 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -79.56 -39.96 30.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.15 -178.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -59.95 -22.37 62.39 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.369 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.26 99.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.395 179.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 3.5 mm? -52.14 146.64 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.843 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.27 -157.32 7.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 -179.651 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -46.08 157.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 1.0 110.776 -179.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -62.96 -10.87 15.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.729 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' OD1' ' NE2' ' A' ' 59' ' ' GLN . 46.0 t-20 -56.63 -38.37 72.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.549 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.1 mmt-85 -65.68 -58.59 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.95 -52.24 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.488 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -43.49 -67.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.991 -179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.51 -51.91 63.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.686 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 32' ' ' MET . 13.0 tmm? -45.2 -32.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.782 -179.491 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.36 -44.98 49.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.854 -179.3 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -35.83 70.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.077 0.465 . . . . 1.0 110.171 -179.296 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -66.33 -61.43 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.232 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -38.99 -23.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.56 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 35' ' ' LEU . 94.9 t -82.39 -38.35 15.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.834 -179.626 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' LEU . 14.0 t -177.11 160.05 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.624 -179.565 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 20.1 mp0 -82.0 155.01 25.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.505 179.648 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.01 173.05 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -72.24 169.44 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.443 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.2 m -73.06 -42.95 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.194 -178.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.68 -59.55 2.47 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.418 -0.673 . . . . 1.0 111.418 -178.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -42.06 -58.83 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 1.0 111.14 -178.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 tt -50.07 -32.53 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.802 -179.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m -80.59 -45.89 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.542 -177.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -64.88 -54.36 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.45 -177.181 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -59.42 -40.22 86.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.688 -178.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.2 tp -74.13 -4.33 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.129 -179.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 67.77 80.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.245 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.8 tp -159.62 151.56 20.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.191 -178.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.9 t -75.6 111.37 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.425 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -64.56 -3.72 3.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.763 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.8 p -83.99 -25.31 30.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.52 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -89.93 -43.77 10.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.178 -178.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 59' ' ' GLN . 32.9 m -44.53 -52.0 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 121.073 -0.251 . . . . 1.0 111.05 -177.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.411 ' N ' ' CG2' ' A' ' 56' ' ' VAL . 48.0 p -41.99 -38.6 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 1.0 111.076 -179.108 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -78.15 -29.74 48.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.55 179.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 56' ' ' VAL . 32.7 mt-30 -65.76 -56.08 13.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.927 -179.096 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -53.13 -43.37 66.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 1.0 110.639 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -42.56 -57.75 2.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.874 -179.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 tp -50.34 -68.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.408 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 4.0 mm? -43.54 -55.39 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.742 -179.11 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -46.84 -69.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.892 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.514 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 8.2 t -47.72 -50.22 25.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.538 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.439 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 89.4 t -52.75 -9.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.928 -177.603 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' A' ' 65' ' ' SER . 14.1 m-70 76.06 17.16 2.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.481 -0.327 . . . . 1.0 111.644 177.532 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.55 -82.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 178.036 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.6 m -68.29 145.4 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.975 -178.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -101.72 106.5 17.53 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.154 178.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.75 133.7 34.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.716 -179.14 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -114.86 140.02 49.3 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.191 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -139.72 112.74 8.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.335 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -160.06 81.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.69 -65.26 0.38 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.357 -1.097 . . . . 1.0 110.357 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -164.07 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.034 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.9 m -68.95 -167.43 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.124 177.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.469 ' SD ' ' OH ' ' A' ' 80' ' ' TYR . 0.5 OUTLIER -142.37 105.48 4.59 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.686 -0.487 . . . . 1.0 109.686 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 mt -84.22 109.65 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.915 -177.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.469 ' OH ' ' SD ' ' A' ' 78' ' ' MET . 50.7 m-85 -75.92 142.96 41.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.495 179.279 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 m -153.67 140.68 19.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.642 -179.216 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 2.9 mm? -76.92 -178.25 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.14 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -160.62 -32.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.501 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -79.75 91.26 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.523 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.406 HD12 HG21 ' A' ' 85' ' ' ILE . 77.8 mt -57.63 -37.27 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.721 -179.755 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -51.48 -64.36 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.623 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.8 t -46.07 -48.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.885 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.61 -51.23 38.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 1.0 110.807 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.7 m -68.05 -42.72 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.363 -178.041 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.3 mmt -41.41 -40.57 1.78 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.566 -0.288 . . . . 1.0 111.531 -177.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.5 mp -78.74 -38.63 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 1.0 110.311 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -52.67 -71.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.098 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -59.08 -30.21 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.353 -177.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.05 -47.19 53.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.957 -0.297 . . . . 1.0 111.11 -178.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.5 mt -74.42 -11.7 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.894 -178.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -82.77 -36.78 25.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.757 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.6 t60 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.839 -179.501 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.803 0.335 . . . . 1.0 110.438 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -73.04 -50.92 20.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.713 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tp -44.83 -52.03 8.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 1.0 110.614 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -47.39 -42.74 22.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.792 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -64.67 -32.92 74.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.838 -179.075 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 19.9 t -61.07 -22.99 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 1.0 110.474 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.1 p -79.84 -30.91 40.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.211 178.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.2 -30.73 70.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.387 179.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 59.8 mt -71.57 -49.61 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.65 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -72.07 -39.39 69.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.724 -178.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -66.7 -7.5 21.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.515 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -70.61 -49.43 47.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.493 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' B' ' 23' ' ' LEU . 9.5 mp -56.89 161.04 3.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.093 179.406 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.79 -155.62 7.45 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.087 -0.805 . . . . 1.0 111.087 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -50.13 165.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 1.0 110.859 -179.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -50.82 -46.58 59.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.666 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.4 -29.38 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.671 -179.448 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.515 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 5.1 tpp85 -61.02 -56.33 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.774 -179.165 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 16.8 tt -77.83 -35.72 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.822 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -41.66 -42.92 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.242 -179.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mm -58.68 -50.49 78.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.557 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' MET . . . . . 0.486 ' SD ' ' OG ' ' B' ' 36' ' ' SER . 12.0 tmm? -49.2 -41.35 36.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.923 -179.047 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.04 -43.22 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.824 -179.177 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.422 ' CD1' ' C ' ' B' ' 34' ' ' LEU . 2.7 tm? -73.95 -41.14 62.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.227 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -45.66 93.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.194 0.521 . . . . 1.0 109.82 178.203 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.486 ' OG ' ' SD ' ' B' ' 32' ' ' MET . 74.9 m -46.08 -23.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.556 178.811 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 38' ' ' SER . 41.8 t -108.66 88.58 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.466 179.472 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.428 ' O ' ' O ' ' B' ' 37' ' ' VAL . 20.9 t 57.31 154.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.125 178.572 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 39' ' ' GLU . 5.3 mp0 -93.35 170.58 9.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.616 179.533 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.75 -177.37 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.331 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -60.0 161.6 6.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 1.0 109.87 177.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 t -77.66 -31.23 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.801 -0.359 . . . . 1.0 110.955 -178.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -85.66 -53.24 3.1 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.434 -0.667 . . . . 1.0 111.434 -178.407 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -40.19 -53.72 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.734 0.302 . . . . 1.0 111.478 -178.039 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 67.2 mt -51.52 -29.55 9.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.902 -178.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.695 ' HG ' HE21 ' B' ' 53' ' ' GLN . 8.1 t -69.98 -71.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.922 -178.534 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.472 ' NE2' ' CD ' ' B' ' 53' ' ' GLN . 53.0 m80 -52.49 -49.98 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.137 -178.343 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -47.75 -58.24 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.091 -178.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' B' ' 49' ' ' LEU . 10.3 mp -79.61 13.15 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.236 -177.318 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 60.92 67.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.988 -0.285 . . . . 1.0 111.415 177.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.468 ' O ' ' NE2' ' B' ' 53' ' ' GLN . 27.8 mt -134.52 149.08 50.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.011 177.625 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.428 ' C ' ' H ' ' B' ' 54' ' ' SER . 47.5 t -79.53 120.83 24.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.554 179.479 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.695 HE21 ' HG ' ' B' ' 46' ' ' SER . 20.9 mp0 -63.5 -2.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.05 -178.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.428 ' H ' ' C ' ' B' ' 52' ' ' SER . 27.8 t -83.93 -20.44 32.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.956 -179.066 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -104.47 -31.66 9.37 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.407 -177.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.484 ' CG1' ' H ' ' B' ' 57' ' ' SER . 14.6 p -48.13 -56.25 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.694 -0.402 . . . . 1.0 110.971 -176.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.484 ' H ' ' CG1' ' B' ' 56' ' ' VAL . 75.8 p -39.68 -57.7 1.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.718 0.294 . . . . 1.0 111.536 -178.05 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -58.94 -27.88 65.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.823 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.4 OUTLIER -62.71 -67.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.741 -178.254 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.25 -41.91 80.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.037 -178.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -42.95 -55.77 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.103 -178.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.418 ' O ' ' OG ' ' B' ' 65' ' ' SER . 3.2 tt -54.01 -64.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.409 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' B' ' 63' ' ' LEU . 9.8 mp -47.04 -57.42 5.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.767 -179.152 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -55.28 -27.36 46.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.323 -177.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.459 ' C ' ' H ' ' B' ' 67' ' ' HIS . 27.1 p -76.66 -46.88 24.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.821 0.304 . . . . 1.0 111.821 -176.773 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.7 13.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.788 -0.365 . . . . 1.0 111.839 -175.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' B' ' 65' ' ' SER . 7.9 t-80 68.05 16.61 9.51 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.932 0.345 . . . . 1.0 111.932 176.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -83.33 -73.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 177.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.09 138.8 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 1.0 111.305 -178.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -109.35 162.92 13.88 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.939 -0.573 . . . . 1.0 109.734 178.101 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -158.38 137.05 11.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.926 0.393 . . . . 1.0 111.116 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -85.74 135.47 33.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.256 178.389 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -81.11 140.34 35.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.255 -178.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . 0.541 ' C ' ' H ' ' B' ' 76' ' ' GLN . 82.4 mm-40 -136.68 158.79 43.63 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.076 179.377 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.54 0.29 Allowed Glycine 0 CA--C 1.527 0.783 0 C-N-CA 121.356 -0.449 . . . . 1.0 112.04 -177.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.541 ' H ' ' C ' ' B' ' 74' ' ' GLN . 1.0 OUTLIER -170.47 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.048 0.424 . . . . 1.0 110.999 179.264 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.7 t -85.9 -167.27 1.79 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 1.0 110.827 -178.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 51.5 mtt -150.09 107.94 3.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.818 179.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' B' ' 79' ' ' ILE . 1.5 mp -82.6 97.29 4.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.478 -177.109 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -70.77 139.14 50.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.375 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' B' ' 82' ' ' LEU . 9.8 t -152.69 145.89 24.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.82 -178.608 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.443 ' N ' ' HG ' ' B' ' 81' ' ' SER . 0.2 OUTLIER -90.38 118.95 30.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.936 179.62 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -78.87 -57.3 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.589 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.23 93.86 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.586 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 16.2 tt -65.8 -15.43 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -58.38 -53.78 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.809 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.4 t -54.1 -37.3 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.661 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.25 -47.84 68.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.669 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 52.1 p -66.49 -42.23 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.846 -179.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.6 tpt -39.92 -41.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.507 -178.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' B' ' 91' ' ' LEU . 3.1 mm? -76.8 -61.02 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 1.0 110.234 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -39.91 -60.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.513 -178.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -61.88 -28.89 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.341 -0.391 . . . . 1.0 111.291 -178.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.05 -54.58 6.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.276 -177.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.0 pt -72.7 -5.42 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.931 -0.308 . . . . 1.0 111.058 -177.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -89.97 -30.53 17.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 1.0 110.494 179.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.654 -179.618 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 1.034 ' OD1' HG21 ' A' ' 10' ' ' THR . 37.1 p30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.37 -0.604 . . . . 5.56 109.37 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 1.034 HG21 ' OD1' ' A' ' 9' ' ' ASN . 52.3 p -136.33 34.38 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 4.01 110.625 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -80.09 -34.4 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 3.55 110.576 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.415 ' H ' ' HG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -80.84 -46.36 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 2.65 110.638 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD22 ' CG2' ' B' ' 29' ' ' ILE . 2.9 mt -67.68 -48.75 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 2.5 110.624 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.846 ' HB2' ' O ' ' A' ' 10' ' ' THR . 8.4 tt0 -39.45 -33.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 2.63 110.598 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 1.312 ' NH2' HD22 ' B' ' 99' ' ' ASN . 2.0 mmm-85 -64.96 -63.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 5.0 110.617 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -49.06 -24.81 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 2.31 110.586 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.597 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -74.53 -34.54 63.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 2.01 110.596 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.62 -39.73 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 2.65 110.595 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.633 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 22.6 mt -57.75 -66.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 2.02 110.571 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -53.21 -38.93 63.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.2 110.634 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 17' ' ' THR . 17.1 tttm -62.32 -35.92 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 3.44 110.619 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.638 ' HB1' HG13 ' A' ' 66' ' ' VAL . . . -49.3 -45.14 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.66 110.606 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.7 mt -49.75 158.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 2.4 110.582 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.99 -100.05 0.17 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.877 -0.889 . . . . 1.85 110.877 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 78.9 m-20 -80.91 153.24 27.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.318 . . . . 2.9 110.622 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.756 ' HD2' ' CG2' ' B' ' 17' ' ' THR . 0.5 OUTLIER -68.04 -51.31 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 4.67 110.602 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' TYR . 84.1 m-20 -37.65 -21.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 3.12 110.619 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.989 ' NE ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.44 -63.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 5.63 110.62 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.428 HG21 HD12 ' B' ' 13' ' ' LEU . 3.4 mt -44.66 -48.02 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 2.06 110.604 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -49.13 -66.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 3.95 110.605 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.66 HD11 ' OE1' ' A' ' 59' ' ' GLN . 11.7 mt -47.55 -46.32 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 2.31 110.592 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' A' ' 36' ' ' SER . 0.1 OUTLIER -53.69 -40.19 65.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 2.69 110.585 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.21 -56.31 23.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 2.62 110.583 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 34' ' ' LEU . 11.7 tp -64.39 -30.89 71.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 2.23 110.543 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -76.53 -16.92 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 2.35 110.606 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.467 ' C ' HG22 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -93.94 15.32 17.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 2.38 110.63 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.467 HG22 ' C ' ' A' ' 36' ' ' SER . 23.4 t -135.26 -67.44 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 3.15 110.606 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.55 152.68 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 3.31 110.578 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.5 127.91 55.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 2.97 110.607 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.64 -175.17 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 1.42 110.617 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.589 ' OG ' ' N ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -70.19 -177.92 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 1.95 110.604 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.589 ' N ' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -75.76 -44.2 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 2.34 110.632 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.78 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -74.23 -72.97 0.96 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.892 -0.883 . . . . 0.91 110.892 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.604 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER -21.77 -54.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 3.62 110.603 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.79 ' O ' ' HB2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -57.42 -42.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 2.21 110.616 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.78 ' N ' ' O ' ' A' ' 43' ' ' GLY . 1.8 t -71.02 -44.59 65.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 2.24 110.629 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -62.69 -71.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 4.09 110.622 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.458 ' C ' ' H ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -50.12 -43.64 51.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 2.93 110.555 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.79 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -78.52 32.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 2.66 110.582 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.551 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.2 m-20 26.13 77.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 3.1 110.592 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.555 ' O ' ' OG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -154.1 141.28 19.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 2.25 110.618 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 54' ' ' SER . 68.1 m -73.68 104.8 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 2.1 110.631 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 1.059 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 4.7 pt20 -44.35 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 3.35 110.589 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -54.34 -38.41 66.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 2.49 110.62 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 59' ' ' GLN . 31.9 m-20 -80.88 -47.13 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 3.03 110.561 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 1.059 ' CG2' ' HA ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -39.1 -81.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 2.11 110.625 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' VAL . 0.6 OUTLIER -36.04 -36.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.9 110.627 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 56' ' ' VAL . 3.0 t-80 -77.41 -32.91 55.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 4.11 110.593 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.669 ' N ' ' O ' ' A' ' 56' ' ' VAL . 5.7 tt0 -64.78 -75.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 2.67 110.63 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.752 HD12 ' CE2' ' A' ' 80' ' ' TYR . 5.3 mt -34.41 -47.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 1.42 110.618 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 60' ' ' LEU . 21.2 tttm -36.21 -62.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 2.9 110.578 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.555 ' O ' ' C ' ' A' ' 63' ' ' LEU . 55.9 tp -52.7 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 2.08 110.615 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.989 HD11 ' NE ' ' A' ' 28' ' ' ARG . 10.6 mp -26.87 -60.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 2.34 110.632 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.988 ' HE3' ' HB1' ' A' ' 71' ' ' ALA . 23.9 tttt -41.41 -57.63 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 2.98 110.615 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . 13.4 t -59.13 -22.66 61.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 1.91 110.614 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.91 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 3.2 t -79.81 -19.92 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.9 110.582 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.91 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER 88.45 3.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 4.16 110.603 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.58 -50.48 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 2.32 110.639 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.615 HG13 HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -108.3 160.83 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 2.02 110.591 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.66 ' HE2' ' CG ' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -129.94 118.29 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 3.41 110.59 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.988 ' HB1' ' HE3' ' A' ' 64' ' ' LYS . . . -76.78 160.5 29.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 1.76 110.607 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -141.15 133.23 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 3.69 110.605 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.455 ' HD3' HH11 ' A' ' 73' ' ' ARG . 2.1 mtp180 -109.9 132.93 53.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 5.21 110.592 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -164.43 98.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 3.76 110.625 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.39 -80.52 0.53 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.893 -0.883 . . . . 3.14 110.893 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.438 ' HB3' ' H ' ' A' ' 77' ' ' SER . 1.2 tt0 -140.23 -93.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 5.62 110.639 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.438 ' H ' ' HB3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -54.62 157.14 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 2.97 110.606 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.7 120.24 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 3.14 110.628 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.6 mt -94.71 117.45 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 1.86 110.571 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.752 ' CE2' HD12 ' A' ' 60' ' ' LEU . 2.4 m-85 -74.01 164.39 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 3.38 110.629 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.62 142.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 2.02 110.566 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.615 HD23 HG13 ' A' ' 69' ' ' VAL . 24.0 mt -71.38 168.63 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 2.58 110.65 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.66 ' CG ' ' HE2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -129.6 -35.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 2.6 110.568 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.718 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -95.44 89.62 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 2.23 110.597 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.433 HG21 HD11 ' A' ' 85' ' ' ILE . 6.5 pt -52.92 -13.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 3.07 110.6 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.06 -59.62 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 4.18 110.623 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.1 t -49.8 -45.49 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 2.2 110.549 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.13 -49.19 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 1.43 110.619 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -42.36 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 2.36 110.551 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -50.43 64.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 3.31 110.59 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -47.64 82.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 2.33 110.622 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 1.7 tttt -52.85 -39.55 62.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 3.51 110.612 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.92 -43.06 89.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 3.23 110.592 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.78 -48.66 79.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 1.56 110.577 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.529 HG21 HD11 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -73.19 -29.52 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 2.32 110.623 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.563 ' HB2' ' O ' ' A' ' 92' ' ' LYS . 0.7 OUTLIER -71.02 -28.13 64.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 3.6 110.605 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.802 ' C ' ' H ' ' A' ' 99' ' ' ASN . 2.4 t60 -88.64 -27.23 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 3.89 110.58 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.01 26.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 2.77 110.594 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 1.317 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -100.28 129.05 46.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 5.88 110.596 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.933 ' O ' ' N ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -79.51 87.55 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 6.54 110.649 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 1.317 ' HD3' ' O ' ' A' ' 99' ' ' ASN . 69.8 Cg_exo -47.08 44.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.781 2.321 . . . . 6.19 112.285 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 1.167 ' HG3' ' N ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER 78.25 -171.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 9.25 110.61 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 1.167 ' N ' ' HG3' ' A' ' 102' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.032 -0.985 . . . . 9.79 110.627 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 1.193 ' C ' HG23 ' B' ' 10' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.374 -0.602 . . . . 5.84 109.374 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 1.193 HG23 ' C ' ' B' ' 9' ' ' ASN . 0.8 OUTLIER 175.2 -157.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 3.82 110.598 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.755 ' OD1' ' N ' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -102.69 -21.48 14.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 2.75 110.59 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' B' ' 15' ' ' ARG . 0.6 OUTLIER -59.42 -67.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 2.77 110.605 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.428 HD12 HG21 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -55.38 -48.2 74.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 2.19 110.635 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -45.04 -37.66 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 2.58 110.642 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.1 mtm-85 -61.8 -60.62 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 4.41 110.578 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.417 ' H ' HG23 ' B' ' 16' ' ' VAL . 0.2 OUTLIER -50.17 -15.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 2.2 110.626 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.756 ' CG2' ' HD2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -85.5 -21.31 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 2.14 110.618 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.59 -42.02 44.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 2.48 110.607 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.23 -63.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 2.3 110.57 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -55.92 -39.29 71.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.1 110.602 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.556 ' HB2' ' O ' ' B' ' 17' ' ' THR . 23.6 tttm -59.89 -39.59 85.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 3.79 110.613 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.426 ' HB3' HG11 ' B' ' 66' ' ' VAL . . . -51.26 -41.52 60.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.55 110.613 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.623 ' HA ' ' NH1' ' B' ' 28' ' ' ARG . 13.8 mt -53.9 150.68 7.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 2.33 110.608 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.26 -104.2 0.27 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.911 -0.876 . . . . 1.92 110.911 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.714 ' OD1' ' N ' ' B' ' 25' ' ' ASP . 0.1 OUTLIER -74.09 144.56 44.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 2.75 110.57 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 1.122 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER -66.01 -50.19 65.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 4.27 110.639 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' B' ' 30' ' ' ARG . 6.7 m-20 -38.78 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 3.48 110.613 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.623 ' NH1' ' HA ' ' B' ' 23' ' ' LEU . 22.2 ttm180 -50.47 -50.88 51.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 5.69 110.595 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.473 ' CG2' HD22 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -51.5 -40.68 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 2.13 110.628 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 0.5 OUTLIER -51.37 -60.9 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 3.63 110.59 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.458 HD13 HE21 ' B' ' 59' ' ' GLN . 0.8 OUTLIER -52.53 -44.88 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 2.31 110.577 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.18 -44.67 68.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 2.86 110.597 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.94 -55.39 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 2.33 110.607 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' B' ' 38' ' ' SER . 16.7 tp -60.06 -34.83 73.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 2.31 110.605 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' B' ' 35' ' ' LEU . 0.1 OUTLIER -67.03 -38.58 86.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 2.32 110.638 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -31.05 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 2.24 110.618 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.788 ' CG1' ' O ' ' B' ' 37' ' ' VAL . 1.9 p -146.52 95.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 2.73 110.637 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.882 ' HG ' ' H ' ' B' ' 39' ' ' GLU . 5.9 t 144.84 178.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 2.94 110.581 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.882 ' H ' ' HG ' ' B' ' 38' ' ' SER . 9.6 pt-20 -170.63 119.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 2.51 110.6 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.04 -172.31 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 1.39 110.562 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.539 ' OG ' ' N ' ' B' ' 42' ' ' VAL . 5.6 t -73.94 -178.51 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 1.88 110.569 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.539 ' N ' ' OG ' ' B' ' 41' ' ' SER . 3.6 t -75.82 -47.88 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 2.33 110.619 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.601 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -75.7 -58.91 3.65 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.866 -0.893 . . . . 0.91 110.866 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.505 ' C ' ' O ' ' B' ' 43' ' ' GLY . 0.3 OUTLIER -31.82 -61.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 3.63 110.586 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.493 HG22 ' O ' ' B' ' 42' ' ' VAL . 17.0 tt -46.97 -40.79 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 2.33 110.608 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.601 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 0.0 OUTLIER -68.94 -69.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 1.81 110.579 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' B' ' 46' ' ' SER . 0.0 OUTLIER -35.73 -66.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 3.99 110.587 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.786 ' C ' ' H ' ' B' ' 50' ' ' ASN . 6.8 mt-30 -45.34 -68.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 3.19 110.585 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.499 ' O ' ' HG ' ' B' ' 51' ' ' LEU . 75.1 mt -56.81 18.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 2.59 110.559 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.786 ' H ' ' C ' ' B' ' 48' ' ' GLN . 58.1 m-20 42.84 62.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 2.7 110.636 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' B' ' 49' ' ' LEU . 72.0 mt -128.28 146.93 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 2.05 110.627 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.503 ' OG ' ' HB2' ' B' ' 54' ' ' SER . 3.5 t -81.48 109.33 15.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.78 110.566 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' B' ' 53' ' ' GLN . 5.6 mt-30 -46.08 -20.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 2.89 110.607 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.503 ' HB2' ' OG ' ' B' ' 52' ' ' SER . 0.2 OUTLIER -56.93 -39.69 74.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 2.4 110.622 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.535 ' O ' ' C ' ' B' ' 56' ' ' VAL . 53.1 m-20 -86.5 -56.32 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 2.72 110.602 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.884 HG11 ' N ' ' B' ' 57' ' ' SER . 1.0 OUTLIER -28.49 -78.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 2.24 110.616 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.884 ' N ' HG11 ' B' ' 56' ' ' VAL . 0.2 OUTLIER -33.5 -47.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 2.3 110.621 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.575 ' O ' ' HB2' ' B' ' 61' ' ' LYS . 0.1 OUTLIER -61.74 -50.39 72.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 3.9 110.56 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.612 ' O ' ' C ' ' B' ' 60' ' ' LEU . 1.0 OUTLIER -48.07 -84.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 2.82 110.647 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.754 HD12 ' CZ ' ' B' ' 80' ' ' TYR . 9.9 mt -20.47 -55.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 1.47 110.62 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' B' ' 58' ' ' HIS . 3.2 mttm -35.37 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 3.47 110.573 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.685 ' O ' ' N ' ' B' ' 65' ' ' SER . 1.2 tp -35.32 -84.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 2.08 110.611 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.786 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . 6.6 mp -27.87 -58.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 2.32 110.634 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -49.94 -40.03 42.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 2.91 110.583 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.685 ' N ' ' O ' ' B' ' 62' ' ' LEU . 0.0 OUTLIER -77.13 -7.42 55.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 2.14 110.591 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.735 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 3.1 t -95.55 -12.08 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 1.92 110.652 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.735 ' HB2' ' O ' ' B' ' 66' ' ' VAL . 0.0 OUTLIER 84.79 6.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 4.07 110.623 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 88.8 mt -76.57 -53.77 7.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 2.07 110.607 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.786 ' CG2' ' HB3' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -101.45 163.82 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 2.09 110.596 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -136.25 135.76 39.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 3.16 110.63 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -101.54 157.82 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 1.68 110.611 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -142.91 132.48 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 3.86 110.584 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -95.29 142.26 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 5.33 110.616 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -156.57 91.29 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 4.7 110.581 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.95 -68.99 2.46 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.883 -0.887 . . . . 3.22 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -149.67 -82.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.329 . . . . 5.69 110.636 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.44 152.8 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 2.85 110.592 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.65 129.48 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 3.57 110.581 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.403 HG22 HD13 ' B' ' 79' ' ' ILE . 8.5 mt -109.45 117.78 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 2.09 110.649 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.754 ' CZ ' HD12 ' B' ' 60' ' ' LEU . 2.0 m-85 -70.67 -174.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 4.11 110.604 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' B' ' 80' ' ' TYR . 0.6 OUTLIER 153.39 144.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 1.87 110.549 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.944 HD23 ' N ' ' B' ' 82' ' ' LEU . 1.0 OUTLIER -78.14 155.97 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 2.76 110.608 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.23 -14.98 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 2.66 110.584 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -112.32 90.33 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 3.05 110.641 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.486 HG23 HD13 ' B' ' 85' ' ' ILE . 4.3 pt -54.46 -18.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 3.31 110.621 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -49.45 -59.71 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 4.16 110.599 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 94.2 t -55.92 -40.05 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 2.16 110.578 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.24 -53.11 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.6 110.543 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 28.5 p -68.52 -41.01 80.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 2.36 110.611 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 6.9 ttt -54.16 -44.39 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 3.18 110.543 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.58 -42.66 98.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 2.43 110.55 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -60.35 -42.67 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 3.5 110.6 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -61.17 -39.31 89.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 3.19 110.636 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.29 88.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.65 110.597 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.473 HG22 ' O ' ' B' ' 95' ' ' ILE . 78.9 mt -76.71 -33.04 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 2.37 110.564 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -62.3 -31.57 72.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 3.61 110.613 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.585 ' O ' ' C ' ' B' ' 98' ' ' ALA . 0.3 OUTLIER -93.42 -12.4 29.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 4.48 110.586 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.585 ' C ' ' O ' ' B' ' 97' ' ' HIS . . . -23.19 -56.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 3.16 110.637 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 1.312 HD22 ' NH2' ' A' ' 15' ' ' ARG . 1.5 m120 -116.21 110.59 19.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 7.08 110.627 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 1.039 ' O ' ' O ' ' B' ' 99' ' ' ASN . 20.8 p80 -32.06 -165.94 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 7.66 110.576 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.996 ' HD2' ' HB2' ' B' ' 100' ' ' HIS . 56.9 Cg_endo -74.13 -84.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.826 2.35 . . . . 6.46 112.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.959 ' HG2' ' O ' ' B' ' 101' ' ' PRO . 0.0 OUTLIER -158.63 -34.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 10.1 110.591 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.015 -0.993 . . . . 8.91 110.628 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.7 m -146.47 -28.96 0.4 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.487 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -66.79 -38.52 86.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.412 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 13' ' ' LEU . 11.3 t -73.65 -43.57 59.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' A' ' 12' ' ' THR . 0.2 OUTLIER -48.71 -51.05 30.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -47.87 -43.06 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.507 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -56.39 -41.61 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.441 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 t -65.63 -23.47 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.377 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.0 m -84.2 -14.32 50.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.203 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -77.85 -39.66 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.59 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 pt -63.8 -38.14 81.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.534 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -74.57 -42.26 59.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.21 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.514 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 2.5 ttmp? -62.35 -33.99 75.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.664 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -44.19 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.6 mt -45.67 145.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.73 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.97 160.97 34.71 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 59.51 165.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 1.0 110.73 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.523 ' C ' ' H ' ' A' ' 28' ' ' ARG . 19.4 m-85 -100.3 -47.14 5.04 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.284 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.536 HD21 ' N ' ' A' ' 27' ' ' ASN . 1.5 m120 -62.83 3.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.626 -0.715 . . . . 1.0 111.29 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' H ' ' C ' ' A' ' 26' ' ' TYR . 62.9 ttt-85 -70.67 -18.54 62.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.795 0.331 . . . . 1.0 110.536 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.4 mt -83.15 -67.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.033 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -52.1 -46.19 65.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.36 -177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 32' ' ' MET . 7.3 tt -52.53 -45.18 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.748 -0.381 . . . . 1.0 110.518 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.44 ' N ' ' CG2' ' A' ' 31' ' ' ILE . 20.6 mmt -63.13 -33.93 76.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.513 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -51.34 -68.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.813 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.6 tp -60.18 -35.13 74.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.992 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -35.7 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.093 0.473 . . . . 1.0 109.769 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.6 t -55.58 -18.6 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.625 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.99 71.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.143 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 t -173.44 162.58 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 1.0 110.983 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 18.0 mp0 -143.84 114.3 7.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.737 -0.665 . . . . 1.0 109.682 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.6 -177.52 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 1.0 110.886 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.546 ' HG ' ' H ' ' A' ' 42' ' ' VAL . 18.0 t -75.38 -179.28 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.454 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.546 ' H ' ' HG ' ' A' ' 41' ' ' SER . 35.0 m -83.68 -35.13 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.767 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.3 -40.11 8.07 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.107 -0.797 . . . . 1.0 111.107 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -49.9 -46.9 52.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.653 0.263 . . . . 1.0 111.089 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.6 pt -69.08 -25.78 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.98 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.6 t -67.78 -76.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.328 . . . . 1.0 110.919 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -49.23 -47.2 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.172 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -49.08 -55.8 11.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.13 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.78 13.45 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.203 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.98 62.72 1.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.78 0.324 . . . . 1.0 110.817 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.5 mt -134.2 147.72 50.78 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.081 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 54' ' ' SER . 48.9 m -77.94 107.56 10.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.188 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -61.75 -2.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.05 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 52' ' ' SER . 52.1 m -80.56 -16.76 53.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.783 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 56' ' ' VAL . 18.9 p30 -105.06 -31.96 8.94 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.487 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.52 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 19.9 m -56.75 -58.87 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.405 -0.518 . . . . 1.0 110.972 -176.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.499 ' H ' ' CG2' ' A' ' 56' ' ' VAL . 58.3 m -42.95 -42.27 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.803 0.335 . . . . 1.0 111.111 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.422 ' N ' ' HD1' ' A' ' 58' ' ' HIS . 0.4 OUTLIER -74.77 -26.77 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.449 179.444 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' VAL . 22.6 tt0 -68.28 -50.96 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.816 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.8 -42.14 83.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 1.0 110.596 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -45.2 -54.74 6.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.892 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.8 tp -52.17 -72.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.305 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.445 ' H ' ' CD1' ' A' ' 63' ' ' LEU . 10.0 mp -41.99 -56.15 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.873 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.606 ' HZ3' ' H ' ' A' ' 71' ' ' ALA . 41.1 tptt -45.09 -30.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.845 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 m -80.97 -32.2 34.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.226 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.83 0.84 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.033 -0.267 . . . . 1.0 110.951 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.4 t60 65.43 16.1 10.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.711 -0.222 . . . . 1.0 111.573 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.8 mt -92.77 -6.02 49.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.714 0.292 . . . . 1.0 110.4 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.6 t -149.89 142.18 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.634 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 81' ' ' SER . 32.2 ttpt -133.63 166.54 22.36 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.884 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.606 ' H ' ' HZ3' ' A' ' 64' ' ' LYS . . . -143.29 131.79 22.31 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.893 0.378 . . . . 1.0 110.577 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -82.12 142.28 32.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.708 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -100.58 103.66 14.97 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.218 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -109.41 103.03 11.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.141 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -129.69 39.1 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.17 -39.37 15.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.85 0.357 . . . . 1.0 110.38 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 78' ' ' MET . 42.9 t -69.41 -167.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.993 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.476 ' N ' ' OG ' ' A' ' 77' ' ' SER . 20.5 ptt? -165.38 154.43 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.472 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.7 mt -145.93 116.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.292 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -77.16 155.39 32.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.756 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 70' ' ' LYS . 78.4 p -170.23 156.66 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.617 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 83' ' ' ASP . 2.5 tp -74.28 -157.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 82' ' ' LEU . 5.1 m-20 -160.67 -66.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 1.0 110.559 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 7.2 p-10 -69.61 99.2 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.732 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.1 tt -61.59 -9.48 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.426 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -59.23 -55.06 39.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.264 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 88' ' ' ALA . 7.9 p -67.52 -44.95 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.153 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.449 ' N ' ' CG1' ' A' ' 87' ' ' VAL . . . -41.88 -61.64 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 1.0 111.243 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.7 t -64.14 -41.71 97.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.64 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 24.1 ttt -45.04 -32.36 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.815 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 tt -72.4 -61.05 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 1.0 109.999 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -53.95 -31.9 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.546 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.04 -28.68 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.276 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.58 70.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.27 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.1 mt -89.29 -8.52 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.427 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -82.54 -39.4 22.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.75 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -51.74 -47.34 64.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.712 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.517 ' C ' ' H ' ' A' ' 100' ' ' HIS . . . -51.04 -91.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.664 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 8.1 t-20 65.62 -4.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.598 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 36.0 p-80 40.61 76.27 0.52 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.305 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -85.44 -26.14 1.44 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.683 2.255 . . . . 1.0 112.357 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -163.2 -36.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.986 -1.007 . . . . 1.0 110.616 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' B' ' 10' ' ' THR . 15.8 p30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.592 ' HG1' ' HG1' ' B' ' 12' ' ' THR . 44.1 p 45.02 -172.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.838 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 4.0 m-20 -85.05 -16.92 39.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.574 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.592 ' HG1' ' HG1' ' B' ' 10' ' ' THR . 56.5 p -63.64 -56.08 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.754 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.35 -35.28 77.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.493 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.79 -25.57 41.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.862 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -66.43 -56.19 12.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.788 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.66 -16.05 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.482 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.3 m -72.6 -33.47 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.215 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.17 -36.73 80.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.488 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.5 mt -54.9 -58.14 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -64.55 -44.16 91.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.785 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -54.0 -23.76 14.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.571 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.31 90.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.596 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 mt -54.64 146.97 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.37 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.33 -75.9 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.95 170.13 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 1.0 110.749 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.438 ' C ' ' H ' ' B' ' 28' ' ' ARG . 27.8 m-85 -99.75 -44.39 6.11 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.044 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -68.3 3.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' B' ' 26' ' ' TYR . 66.4 ttp85 -57.9 -45.82 85.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.698 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 tt -68.62 -45.07 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.665 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -43.41 -62.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.056 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.5 pt -61.82 -35.65 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.011 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' B' ' 32' ' ' MET . 1.3 tmt? -59.77 -49.09 79.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.602 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -49.38 -57.31 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.763 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 tp -56.49 -34.19 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.992 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.8 OUTLIER -69.37 -34.67 74.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.99 0.424 . . . . 1.0 110.216 -178.187 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.8 m -46.16 -14.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.941 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' B' ' 35' ' ' LEU . 4.2 p -172.53 84.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.353 0.597 . . . . 1.0 110.511 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 39.1 m -169.83 -172.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.861 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -173.67 111.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.172 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.2 -177.15 5.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.684 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.1 t -77.67 -172.72 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.567 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 38.4 t -86.95 -39.72 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.736 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -82.77 -11.15 82.11 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.29 -0.724 . . . . 1.0 111.29 -178.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -73.11 -69.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 1.0 110.896 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.53 -24.71 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.971 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 58.5 p -66.94 -78.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.015 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -53.86 -46.62 71.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.944 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -42.31 -60.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.455 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.06 22.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.486 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 57.4 66.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 1.0 110.84 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -133.55 145.11 49.81 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.511 ' C ' ' H ' ' B' ' 54' ' ' SER . 88.7 p -82.61 133.07 35.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.326 . . . . 1.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -67.25 8.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.922 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.511 ' H ' ' C ' ' B' ' 52' ' ' SER . 52.7 p -73.99 -50.34 20.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 1.0 110.541 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.53 ' C ' ' H ' ' B' ' 57' ' ' SER . 7.1 m120 -73.92 -33.49 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.468 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 31.9 t -55.1 -2.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.624 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.53 ' H ' ' C ' ' B' ' 55' ' ' ASN . 32.0 p -89.51 -60.42 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.062 0.458 . . . . 1.0 110.039 176.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.477 ' N ' ' OG ' ' B' ' 57' ' ' SER . 27.5 t-80 -79.08 -10.06 59.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.924 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -61.8 -78.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.42 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.68 -38.46 67.0 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.974 -0.29 . . . . 1.0 110.948 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.432 ' O ' ' OG ' ' B' ' 65' ' ' SER . 57.9 tttp -45.08 -61.01 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.819 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.13 -66.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.558 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 8.8 mp -41.42 -56.95 2.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.928 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -55.22 -24.4 27.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.49 -0.323 . . . . 1.0 111.287 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.517 ' C ' ' H ' ' B' ' 67' ' ' HIS . 6.9 m -81.86 -51.69 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.615 -0.266 . . . . 1.0 111.463 -177.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.7 m -65.44 10.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.975 -0.29 . . . . 1.0 111.504 -176.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.517 ' H ' ' C ' ' B' ' 65' ' ' SER . 6.6 t-80 64.81 15.67 9.98 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.044 0.387 . . . . 1.0 112.044 176.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 64.8 mt -91.58 -3.72 56.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.577 0.227 . . . . 1.0 110.601 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 83.8 t -154.31 152.69 9.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.877 0.37 . . . . 1.0 110.395 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -137.61 -176.39 4.39 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.884 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -165.64 147.26 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.595 -0.442 . . . . 1.0 111.433 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -89.14 136.63 32.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.202 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -135.49 87.15 2.3 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.146 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -160.25 64.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.153 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 151.34 90.45 0.08 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.555 -1.018 . . . . 1.0 110.555 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 42.26 -87.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 1.0 111.761 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 75' ' ' GLY . 81.0 p -64.76 -167.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.401 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 4.9 ttt -148.58 107.29 3.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 1.0 109.606 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' B' ' 79' ' ' ILE . 1.6 mp -92.62 103.75 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.616 -176.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -63.37 157.86 22.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 1.0 110.526 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 58.0 m -160.85 -169.43 2.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.516 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 tt -151.43 114.4 4.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.913 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.45 -59.11 3.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.478 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 84' ' ' ASP . 1.2 m-20 -44.46 139.7 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 1.0 111.008 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -111.25 -21.75 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.448 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -73.15 -35.59 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' B' ' 88' ' ' ALA . 10.5 p -62.14 -44.62 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.582 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' B' ' 87' ' ' VAL . . . -56.38 -46.46 80.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.84 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 65.5 p -71.99 -45.69 60.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.4 ttt -46.49 -31.53 2.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 tt -73.0 -59.73 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.01 -0.367 . . . . 1.0 110.01 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -51.63 -30.17 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.443 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.48 -31.63 72.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.359 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.11 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.366 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.0 mt -73.15 -9.77 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.438 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -79.41 -36.46 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.59 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -62.1 -49.11 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.419 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 55.27 64.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.745 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -82.31 118.72 23.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.518 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -170.3 68.15 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.605 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -45.39 147.65 2.46 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.638 2.225 . . . . 1.0 112.228 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -58.38 166.14 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.649 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.646 -179.868 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.43 ' O ' ' OG1' ' A' ' 10' ' ' THR . 31.8 m-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 9' ' ' ASN . 9.4 p 57.27 34.45 24.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.792 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.525 ' N ' ' OE1' ' A' ' 14' ' ' GLU . 22.5 p-10 -172.79 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.899 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 p -82.82 -60.58 2.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.984 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' O ' ' OG1' ' A' ' 17' ' ' THR . 13.4 mt -72.16 -26.41 62.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.855 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 11' ' ' ASP . 12.4 mp0 -58.53 -14.86 9.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.596 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -79.47 -61.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.497 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.526 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 35.8 m -62.37 -16.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.508 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 13' ' ' LEU . 26.7 m -72.14 -47.61 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.619 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -56.88 -33.83 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.733 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.7 mt -59.99 -63.52 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.876 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 24.8 m-85 -56.5 -43.02 79.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.012 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -54.7 -37.59 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.384 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.77 73.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.723 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.96 159.83 27.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 1.0 110.555 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.622 ' N ' ' NH1' ' A' ' 28' ' ' ARG . . . -173.72 -82.08 0.05 OUTLIER Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.501 ' C ' ' H ' ' A' ' 27' ' ' ASN . 62.4 t0 -73.24 114.8 11.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.84 0.352 . . . . 1.0 110.424 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -61.0 0.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.993 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.501 ' H ' ' C ' ' A' ' 25' ' ' ASP . 14.7 t30 -85.99 -12.23 50.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 1.0 110.598 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.622 ' NH1' ' N ' ' A' ' 24' ' ' GLY . 96.4 mtt180 -65.5 -54.08 33.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.984 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.9 tt -45.24 -47.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.623 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -42.03 -72.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.323 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 pt -61.03 -38.28 79.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.922 -178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.3 ttt -48.52 -45.3 37.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 1.0 110.475 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -60.42 -42.49 96.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.724 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.05 -34.81 58.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.973 0.416 . . . . 1.0 110.032 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.68 -37.62 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.418 . . . . 1.0 109.996 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 t -74.18 3.01 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.258 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.8 t -134.33 70.49 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.274 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m 63.58 113.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.946 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -66.93 170.84 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.656 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -177.59 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.528 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.424 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 8.9 p -64.28 165.18 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.386 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -75.77 -37.03 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.27 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 46' ' ' SER . . . -80.66 -72.24 1.23 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.579 -0.609 . . . . 1.0 111.579 -178.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -39.11 -53.87 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.626 0.25 . . . . 1.0 111.56 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' A' ' 41' ' ' SER . 17.8 tt -45.37 -33.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.826 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.457 ' HG ' ' N ' ' A' ' 47' ' ' HIS . 55.0 p -81.79 -55.86 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.16 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.457 ' N ' ' HG ' ' A' ' 46' ' ' SER . 55.6 t-80 -48.53 -50.24 32.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.025 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.46 -51.29 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.81 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.4 0.7 6.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.056 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 62.23 77.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.765 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.6 tp -148.05 147.18 29.29 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.875 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 54' ' ' SER . 16.9 m -80.46 123.19 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.913 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' OE1' ' OG ' ' A' ' 46' ' ' SER . 16.7 mm100 -64.14 -1.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.681 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 52' ' ' SER . 29.3 t -67.78 -48.56 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.685 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -81.93 -35.23 29.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.063 -178.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.4 t -40.45 -77.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.425 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.9 m -37.24 -49.09 0.91 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.928 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -75.5 -24.94 56.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.871 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 56' ' ' VAL . 10.1 tt0 -68.0 -58.35 4.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.008 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 63' ' ' LEU . 12.5 mt -50.41 -47.24 56.59 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.009 -0.276 . . . . 1.0 110.709 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -37.91 -56.58 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.636 -178.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.415 ' O ' ' OG ' ' A' ' 65' ' ' SER . 36.3 tp -56.32 -32.14 64.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.606 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' LEU . 12.0 mt -74.78 -54.48 7.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.956 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -70.16 -0.45 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.106 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 62' ' ' LEU . 94.7 p -79.0 -56.68 4.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 1.0 110.94 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 m -94.6 35.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.644 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.1 t60 60.19 22.47 11.81 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.912 0.338 . . . . 1.0 111.912 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.39 -18.95 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.709 -0.397 . . . . 1.0 110.075 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.4 m -152.29 149.29 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.276 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -96.66 124.37 40.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.449 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.84 160.68 17.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.616 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -152.63 131.6 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.226 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.535 ' CZ ' ' SD ' ' A' ' 78' ' ' MET . 81.3 mtt180 -137.91 121.63 17.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.472 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -160.5 78.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.236 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.82 -64.23 0.42 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.245 -1.142 . . . . 1.0 110.245 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -172.64 -62.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 1.0 110.336 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.2 m -63.33 -167.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.502 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.535 ' SD ' ' CZ ' ' A' ' 73' ' ' ARG . 41.5 mtt -144.17 99.1 3.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.505 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 72.5 mt -87.57 103.65 13.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.626 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -97.75 145.56 26.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.217 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.6 t -159.64 -178.28 6.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.738 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.88 -158.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.562 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -172.74 -41.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.402 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 48.2 t0 -65.04 157.8 27.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.417 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 24.2 pt -111.11 -16.48 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.425 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.576 ' HE2' ' CE ' ' A' ' 90' ' ' MET . 46.1 t60 -79.07 -59.47 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.929 -178.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 88' ' ' ALA . 11.6 p -44.07 -42.17 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.12 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.408 ' N ' ' CG1' ' A' ' 87' ' ' VAL . . . -69.45 -38.92 77.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.964 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -75.5 -34.29 60.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.804 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.576 ' CE ' ' HE2' ' A' ' 86' ' ' HIS . 30.6 ttm -62.44 -30.74 71.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.771 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.4 mt -77.23 -48.14 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 1.0 110.479 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -42.21 -72.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.467 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -58.69 -29.17 66.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.632 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.5 -60.09 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.801 -0.36 . . . . 1.0 111.218 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.5 pt -77.66 -2.56 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.165 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -78.68 -35.11 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 1.0 110.326 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -83.64 -42.65 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 50.8 83.67 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.257 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -65.32 174.1 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.894 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.66 ' HD1' ' N ' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -171.3 151.09 2.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.112 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -37.34 136.75 0.36 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.092 1.861 . . . . 1.0 112.662 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -58.69 104.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.546 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 11.7 mp0 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.051 -0.976 . . . . 1.0 110.55 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 45.8 t30 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.2 p -70.34 80.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.522 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -47.78 -29.3 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.917 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.6 m -59.91 -46.87 87.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.74 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.31 -39.23 89.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.969 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -53.66 -37.19 62.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.162 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -58.28 -55.8 30.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.051 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.4 m -67.09 -17.03 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.989 0.423 . . . . 1.0 110.521 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -78.37 -15.96 58.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.619 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -81.97 -49.77 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.928 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 pt -49.49 -43.57 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.879 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -69.32 -45.35 69.7 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.347 -0.541 . . . . 1.0 110.546 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -49.87 -18.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.51 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.54 -35.62 75.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.555 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.13 152.09 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.47 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -169.07 -100.17 0.13 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.744 -0.942 . . . . 1.0 110.744 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -61.74 109.3 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.789 0.328 . . . . 1.0 110.57 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -72.07 4.43 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.847 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -80.6 -7.82 59.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.437 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -70.82 -35.57 72.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.82 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -43.47 -59.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.95 0.405 . . . . 1.0 110.832 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -41.83 -68.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.405 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.7 pt -63.0 -26.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.166 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' B' ' 32' ' ' MET . 10.9 tmm? -67.4 -42.77 82.76 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.39 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.89 -36.5 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.52 -37.4 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.421 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.2 OUTLIER -72.66 -31.61 65.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 1.0 109.981 -179.064 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -41.07 -21.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.016 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.6 p -164.15 69.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.695 0.76 . . . . 1.0 109.944 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -172.95 160.46 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.396 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -145.12 125.97 14.39 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.28 177.34 9.69 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.774 -0.37 . . . . 1.0 110.97 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -74.25 175.74 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.333 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 24.2 m -79.63 -37.97 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.624 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.01 -43.72 7.45 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.129 -0.788 . . . . 1.0 111.129 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -44.26 -47.49 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 1.0 111.021 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -65.61 -25.53 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.884 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.517 ' OG ' ' NE2' ' B' ' 53' ' ' GLN . 3.2 m -66.35 -44.95 81.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.934 -178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.51 -49.59 46.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.037 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.63 -61.48 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.033 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.8 -6.74 12.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.127 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 62.59 80.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 1.0 110.677 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 tp -152.73 148.77 27.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.923 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.527 ' OG ' ' ND2' ' B' ' 55' ' ' ASN . 11.4 p -82.96 121.82 27.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.79 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.517 ' NE2' ' OG ' ' B' ' 46' ' ' SER . 2.5 tp-100 -49.03 -47.56 44.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.425 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 69.9 m -31.95 -38.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.709 -0.678 . . . . 1.0 112.252 -177.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.527 ' ND2' ' OG ' ' B' ' 52' ' ' SER . 20.3 p30 -87.72 -41.83 13.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.612 0.244 . . . . 1.0 110.695 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 59' ' ' GLN . 77.0 t -39.44 -80.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.737 0.303 . . . . 1.0 111.336 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 39.3 t -40.1 -33.41 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.383 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.624 ' N ' ' HD1' ' B' ' 58' ' ' HIS . 0.2 OUTLIER -82.83 -28.27 30.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.036 -179.468 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' B' ' 56' ' ' VAL . 11.9 mm-40 -67.2 -51.48 52.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.606 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.26 -43.76 92.45 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.82 -0.352 . . . . 1.0 110.593 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -43.94 -49.14 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.007 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.07 -51.44 70.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.89 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.18 -66.97 0.49 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.797 0.332 . . . . 1.0 110.662 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -23.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.182 -177.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -84.09 8.19 16.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.519 -0.309 . . . . 1.0 111.393 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 43.5 t -132.32 15.07 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.717 0.294 . . . . 1.0 110.442 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 65.42 20.11 11.71 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.877 0.325 . . . . 1.0 111.877 175.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 41.5 mt -90.93 -18.11 25.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.639 0.257 . . . . 1.0 110.706 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -147.17 114.94 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.356 . . . . 1.0 110.72 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -96.27 153.0 18.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.926 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.77 -178.6 4.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.489 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -151.37 135.93 17.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.395 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -84.99 118.95 24.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.919 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.45 118.18 17.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.079 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.79 2.31 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -165.88 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 1.0 110.044 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' B' ' 78' ' ' MET . 29.4 t -66.66 -167.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.98 177.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.502 ' N ' ' OG ' ' B' ' 77' ' ' SER . 3.7 ptt? -155.54 99.13 2.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.055 0.455 . . . . 1.0 109.786 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.75 134.2 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.807 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -93.64 151.19 19.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.647 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.7 m -156.21 150.34 25.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.563 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.529 ' C ' ' H ' ' B' ' 84' ' ' ASP . 13.3 mt -76.65 -62.02 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.651 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 69.45 -13.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' B' ' 82' ' ' LEU . 13.2 m-20 -78.97 105.55 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.717 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 5.7 tp -76.09 -22.54 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.493 ' O ' ' SD ' ' B' ' 90' ' ' MET . 40.0 t-80 -64.15 -69.66 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.711 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 34.8 t -51.78 -30.65 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.92 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.3 80.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.84 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 34.3 m -77.44 -52.89 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.885 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' B' ' 90' ' ' MET . 0.0 OUTLIER -44.81 -32.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.835 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 21.4 mt -78.07 -46.22 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 1.0 110.607 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -47.84 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.046 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.483 ' O ' ' ND1' ' B' ' 97' ' ' HIS . 91.0 mt-30 -47.84 -34.54 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.138 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.92 -55.0 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.036 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 68.6 mt -76.96 -8.83 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.595 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.57 ' ND1' HD21 ' B' ' 99' ' ' ASN . 78.1 t60 -74.46 -41.41 60.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.014 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' B' ' 93' ' ' GLN . 0.3 OUTLIER -49.38 -15.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.663 -179.21 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' B' ' 96' ' ' HIS . . . -73.94 -27.76 61.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.88 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.57 HD21 ' ND1' ' B' ' 96' ' ' HIS . 72.1 m-80 -71.28 -173.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.588 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -52.18 151.17 7.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.137 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.23 -47.37 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.84 1.693 . . . . 1.0 111.874 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt 47.51 66.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.721 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.966 -1.016 . . . . 1.0 110.61 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.3 t-20 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 9' ' ' ASN . 14.3 m -166.82 -42.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.726 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -163.28 -14.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.17 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.648 ' HG1' ' N ' ' A' ' 13' ' ' LEU . 15.4 p -64.28 -40.29 95.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 1.0 110.634 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.648 ' N ' ' HG1' ' A' ' 12' ' ' THR . 2.4 tt -66.58 -43.23 85.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.19 0.519 . . . . 1.0 109.9 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 17' ' ' THR . 81.0 tt0 -43.89 -52.68 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.085 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -51.02 -36.87 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.939 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.7 t -68.91 -22.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 1.0 110.644 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 15.8 p -79.65 -15.43 57.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.051 177.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -79.74 -36.44 37.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.26 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -60.19 -54.88 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.372 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -55.93 -42.04 75.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.741 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -78.98 -13.98 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.922 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.12 -58.81 6.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.919 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.78 -175.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.575 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.15 -104.62 0.2 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.0 127.42 31.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 1.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 41.1 p90 -41.01 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.318 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.568 ' ND2' ' CZ ' ' A' ' 26' ' ' TYR . 53.6 m-80 -58.13 -4.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.533 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.51 ' H ' ' C ' ' A' ' 26' ' ' TYR . 14.8 tpp180 -69.39 -28.63 66.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.724 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.8 mm -76.11 -58.87 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.694 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -44.7 -71.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.055 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.3 tt -43.2 -42.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.367 -178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.16 -35.49 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.532 -0.304 . . . . 1.0 110.963 -178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -65.01 -33.02 75.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.911 -0.315 . . . . 1.0 110.591 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.01 -42.44 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.439 . . . . 1.0 110.153 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' VAL . 36.0 tp -61.33 -29.71 70.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.142 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.4 t -44.87 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.771 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' LEU . 52.6 t -85.74 -47.46 16.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.304 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t 62.78 78.57 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -172.24 50.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.578 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.07 169.46 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 1.0 110.895 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -81.79 -175.38 5.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.175 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -74.44 -37.06 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.94 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.19 -50.83 2.34 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.211 -0.755 . . . . 1.0 111.211 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -46.93 -33.03 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 1.0 111.068 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.6 tt -74.53 -21.2 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.065 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 t -79.39 -45.92 18.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.037 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.518 ' C ' ' H ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -63.18 -51.6 65.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.868 -178.645 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -70.52 12.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.725 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 47' ' ' HIS . 36.2 tp -132.89 -12.47 2.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.255 -0.43 . . . . 1.0 109.985 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.69 85.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.184 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.88 146.49 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.287 -0.634 . . . . 1.0 109.287 -178.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 54' ' ' SER . 57.9 m -74.21 114.92 13.11 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.263 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.524 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 26.5 mp0 -56.84 -3.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.993 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 52' ' ' SER . 23.1 t -81.9 -19.78 40.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.729 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -97.45 -42.45 7.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.264 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.557 ' CG2' ' H ' ' A' ' 57' ' ' SER . 30.9 m -44.99 -62.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.807 -0.357 . . . . 1.0 111.144 -176.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.557 ' H ' ' CG2' ' A' ' 56' ' ' VAL . 8.6 t -47.1 -39.27 12.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.807 0.337 . . . . 1.0 110.907 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -70.94 -32.5 69.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.077 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.56 -51.67 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.291 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.07 -57.56 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.544 -0.298 . . . . 1.0 111.548 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -39.39 -65.32 0.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 1.0 111.581 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -57.86 -46.38 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.666 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.15 -37.99 84.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.504 -175.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' A' ' 70' ' ' LYS . 67.8 mttm -80.17 -38.14 31.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.318 . . . . 1.0 111.005 -178.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 67' ' ' HIS . 11.6 t -52.92 -43.54 66.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.357 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.4 m -60.51 0.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.002 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' A' ' 65' ' ' SER . 7.4 t-80 73.66 15.91 3.96 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.27 0.356 . . . . 1.0 111.9 176.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.5 mt -81.79 -74.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 1.0 110.13 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.4 t -76.55 149.5 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.946 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 97.0 mttt -111.96 -176.01 2.83 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.134 -0.484 . . . . 1.0 109.959 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.97 152.03 14.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 1.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -141.06 159.45 42.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.648 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 ptt85 -133.44 127.8 34.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.999 0.428 . . . . 1.0 110.547 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -159.57 68.53 0.41 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.177 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.63 -78.89 0.2 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.316 -1.114 . . . . 1.0 110.316 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -155.77 -72.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.1 m -62.69 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.642 . . . . 1.0 109.928 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.8 mtt -125.79 112.33 15.92 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.786 0.327 . . . . 1.0 110.458 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.1 mm -85.19 92.87 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.309 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -67.54 152.88 44.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.635 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.8 t -171.09 138.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.006 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.95 -172.18 3.59 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.912 -0.403 . . . . 1.0 109.912 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 17.2 p-10 -127.69 -49.96 1.37 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.231 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 86' ' ' HIS . 21.8 m-20 -74.84 82.58 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.474 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -61.53 -0.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.54 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.5 ' H ' ' C ' ' A' ' 84' ' ' ASP . 7.5 t60 -68.01 -44.8 75.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.0 t -55.88 -48.91 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.673 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.44 -53.24 11.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.2 p -68.94 -45.07 71.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.548 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.2 ttt -47.0 -30.32 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.637 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 tt -71.4 -65.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.953 -0.388 . . . . 1.0 109.953 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -47.69 -42.52 25.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.374 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.542 HE21 ' CE1' ' A' ' 97' ' ' HIS . 16.0 tm0? -53.31 -32.37 48.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.271 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.28 -45.45 47.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.502 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.2 mm -69.73 -5.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.268 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.51 ' C ' ' H ' ' A' ' 98' ' ' ALA . 4.2 t-80 -84.2 -67.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.71 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.542 ' CE1' HE21 ' A' ' 93' ' ' GLN . 0.9 OUTLIER -54.44 -6.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.811 -179.367 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.51 ' H ' ' C ' ' A' ' 96' ' ' HIS . . . -78.75 53.49 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.68 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -164.63 101.63 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.664 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.436 ' C ' ' H ' ' A' ' 102' ' ' LYS . 5.9 m-70 -58.1 149.57 55.93 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.05 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.69 17.19 0.57 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.844 1.696 . . . . 1.0 111.821 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 100' ' ' HIS . 19.7 tptp -172.24 135.47 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.307 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.591 179.719 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 m120 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' B' ' 11' ' ' ASP . 11.5 p -146.63 -130.64 0.07 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.074 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.505 ' N ' ' OG1' ' B' ' 10' ' ' THR . 9.7 m-20 -159.75 -51.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.311 . . . . 1.0 110.418 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -58.73 -35.14 72.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.668 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -72.49 -36.3 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.556 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -50.79 -26.51 5.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.333 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mmm-85 -73.34 -42.55 62.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.358 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 5.2 t -66.04 -22.93 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.387 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 75.9 m -84.26 -19.11 34.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.616 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.38 -31.12 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.879 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 pt -72.05 -38.3 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.844 -0.342 . . . . 1.0 110.663 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -64.44 -39.87 94.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.416 -0.514 . . . . 1.0 110.233 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -81.28 -9.33 59.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.91 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.58 -58.38 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.003 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -171.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.498 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.54 -75.52 0.04 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.25 -179.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 1.0 110.724 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.51 ' C ' ' H ' ' B' ' 28' ' ' ARG . 16.7 m-85 -99.99 -47.03 5.15 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.01 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.559 ' N ' HD21 ' B' ' 27' ' ' ASN . 1.4 m120 -64.63 3.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.78 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.51 ' H ' ' C ' ' B' ' 26' ' ' TYR . 2.2 tmt_? -58.25 -29.86 66.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.165 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' B' ' 32' ' ' MET . 16.1 mt -81.73 -46.13 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.8 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 -42.36 -46.43 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.08 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.8 pt -74.72 -29.35 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.538 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' MET . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' ILE . 20.9 ttt -64.66 -46.37 82.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.851 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.59 -21.37 65.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.832 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -78.06 -39.45 41.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.685 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.455 ' C ' ' N ' ' B' ' 37' ' ' VAL . 35.9 mt -67.11 -27.15 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.704 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -46.88 -17.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 1.0 110.224 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.455 ' N ' ' C ' ' B' ' 35' ' ' LEU . 5.4 p -171.63 77.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.581 -0.736 . . . . 1.0 109.808 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 33.9 t -172.42 178.81 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.561 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -178.34 132.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.224 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.25 -177.72 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.861 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 24.5 m -77.4 176.53 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.325 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.5 t -75.14 -39.94 43.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.009 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.64 -55.74 2.5 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -43.48 -49.52 7.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.769 0.319 . . . . 1.0 111.134 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 14.7 tt -55.53 -25.49 17.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.906 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -74.49 -65.06 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.162 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.67 ' HE2' ' NE2' ' B' ' 53' ' ' GLN . 34.5 m80 -52.0 -48.51 64.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.153 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -52.58 -50.65 62.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.784 -177.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 mt -80.65 8.58 7.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.226 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.44 ' ND2' ' N ' ' B' ' 50' ' ' ASN . 2.0 m120 59.31 53.64 5.19 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.765 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 33.4 mt -129.63 154.66 46.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.244 -0.435 . . . . 1.0 109.965 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.7 t -79.94 116.54 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.568 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.67 ' NE2' ' HE2' ' B' ' 47' ' ' HIS . 39.0 mt-30 -42.91 -55.78 3.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.997 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' B' ' 55' ' ' ASN . 82.8 p -44.16 -64.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.888 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.427 ' N ' ' OG ' ' B' ' 54' ' ' SER . 64.0 t30 -53.74 -50.71 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.516 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.5 t -50.12 -68.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.392 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.5 p -45.83 -47.49 15.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.778 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -60.58 -26.31 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.724 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -71.56 -48.64 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.865 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 mt -55.79 -41.02 73.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 1.0 110.587 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -46.64 -57.82 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.461 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 tp -47.76 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.386 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.482 ' CD1' ' H ' ' B' ' 63' ' ' LEU . 9.2 mp -42.36 -51.62 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.891 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -43.68 -53.0 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.152 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.512 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 10.6 m -64.5 -29.5 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.233 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.458 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 25.9 t -81.54 -6.99 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.754 -178.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' B' ' 65' ' ' SER . 1.2 m170 75.73 20.59 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.635 177.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 26.2 mt -83.98 -9.24 58.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.142 -0.223 . . . . 1.0 110.731 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -152.53 139.0 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.014 0.435 . . . . 1.0 111.053 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -98.62 168.67 10.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.788 -0.642 . . . . 1.0 109.765 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -149.18 116.52 6.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.822 0.344 . . . . 1.0 110.724 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -82.14 134.86 35.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.47 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -78.04 117.24 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.726 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -142.37 103.0 4.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.528 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 -145.56 37.37 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -62.87 -61.81 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.672 0.273 . . . . 1.0 111.048 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 66.5 m -85.26 -167.6 1.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.876 0.37 . . . . 1.0 110.982 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.8 mtt -141.47 132.94 26.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.25 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.3 mt -83.11 120.31 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.714 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -78.1 132.52 37.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.559 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -164.18 132.56 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.705 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.17 -168.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.057 179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -154.19 -31.01 0.11 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.626 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' B' ' 84' ' ' ASP . 1.2 p30 -70.8 88.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.43 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.0 pt -76.69 2.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -64.92 -45.67 84.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.588 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -71.87 -29.19 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.587 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.26 97.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.656 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 27.7 p -73.35 -40.42 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.611 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 77.4 mtp -63.53 -20.62 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 tt -72.44 -64.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.186 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 96' ' ' HIS . 75.4 mttt -50.37 -60.53 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.68 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -41.28 -37.64 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.202 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.87 -59.0 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.839 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 23.5 pt -81.24 -1.76 5.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.217 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' B' ' 92' ' ' LYS . 58.7 t-80 -81.09 -27.58 35.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 1.0 110.478 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.538 ' HD1' ' H ' ' B' ' 98' ' ' ALA . 0.0 OUTLIER -50.44 -21.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.638 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.538 ' H ' ' HD1' ' B' ' 97' ' ' HIS . . . -64.53 -25.62 68.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.56 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -94.14 143.28 26.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.436 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.72 ' HD1' ' H ' ' B' ' 100' ' ' HIS . 1.3 p-80 -78.36 148.94 74.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.026 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.25 150.12 36.68 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 121.82 1.68 . . . . 1.0 112.127 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.494 ' N ' ' CD ' ' B' ' 102' ' ' LYS . 0.7 OUTLIER -80.15 6.38 11.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.275 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.382 -179.821 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.6 t30 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.6 p -151.1 -39.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.806 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -158.38 -29.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.934 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -36.0 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.669 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.0 -40.33 95.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.455 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -50.7 -21.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.898 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -66.42 -60.4 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.077 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 m -57.9 -15.67 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.569 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -78.82 -26.72 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.242 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -77.19 -43.11 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.285 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 pt -58.89 -38.18 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.92 -0.312 . . . . 1.0 111.254 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -71.27 -35.89 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.18 -0.608 . . . . 1.0 109.92 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -53.04 -28.1 22.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.737 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.51 96.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.773 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 3.5 mm? -51.82 130.27 28.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.043 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -172.85 128.43 1.53 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER 58.29 119.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 1.0 110.806 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.461 ' C ' ' N ' ' A' ' 28' ' ' ARG . 12.3 p90 -50.95 -34.0 26.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.538 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -45.22 -18.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.1 0.476 . . . . 1.0 110.442 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' N ' ' C ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -60.12 -54.03 50.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.332 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mt -62.44 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -43.09 -73.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.819 0.342 . . . . 1.0 111.101 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.0 tt -52.16 -46.23 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.618 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.0 tpt -46.05 -35.05 4.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.041 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.65 -32.58 65.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.473 -0.33 . . . . 1.0 111.02 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.2 tp -74.24 -40.2 62.56 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.499 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.475 ' C ' ' N ' ' A' ' 37' ' ' VAL . 49.1 mt -61.96 -25.74 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t -45.06 -17.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 1.0 110.645 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.475 ' N ' ' C ' ' A' ' 35' ' ' LEU . 73.7 t -82.59 -46.59 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.039 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' LEU . 3.9 p 79.69 48.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.839 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -171.49 81.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.845 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.55 128.18 5.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.628 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.3 t -56.68 156.96 5.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.224 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.78 -40.39 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.039 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.46 -48.86 9.92 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.511 -0.636 . . . . 1.0 111.511 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -42.68 -42.28 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.71 0.291 . . . . 1.0 111.145 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 mm -49.44 -39.68 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.717 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 47' ' ' HIS . 86.6 p -71.9 -70.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.91 0.386 . . . . 1.0 111.282 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.643 ' CD2' HE21 ' A' ' 53' ' ' GLN . 23.6 m170 -55.94 -51.59 67.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.404 -177.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -57.99 -57.92 10.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.373 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.9 3.44 6.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.73 -176.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 60.37 61.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.89 -0.324 . . . . 1.0 111.279 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.6 mt -134.32 155.45 50.21 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.53 ' C ' ' H ' ' A' ' 54' ' ' SER . 10.3 t -79.86 127.5 32.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.661 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.643 HE21 ' CD2' ' A' ' 47' ' ' HIS . 22.2 mp0 -52.8 -5.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.537 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 52' ' ' SER . 20.0 m -85.91 -24.39 26.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 1.0 110.372 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -84.66 -50.4 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.166 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.577 ' CG2' ' H ' ' A' ' 57' ' ' SER . 26.8 m -53.72 -64.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.916 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.577 ' H ' ' CG2' ' A' ' 56' ' ' VAL . 7.0 t -40.29 -48.63 2.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.328 . . . . 1.0 111.379 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -71.6 -27.33 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.493 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 56' ' ' VAL . 4.4 tp-100 -63.8 -66.62 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.991 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -47.42 -38.89 14.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.644 0.259 . . . . 1.0 111.184 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -44.55 -62.86 1.04 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.722 0.296 . . . . 1.0 110.837 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.79 -64.84 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.372 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 mt -37.05 -51.22 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.834 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -59.2 -38.13 79.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.546 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 67' ' ' HIS . 29.7 p -70.76 -52.99 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.504 -0.317 . . . . 1.0 111.579 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.1 m -53.76 -4.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.66 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.519 ' H ' ' C ' ' A' ' 65' ' ' SER . 10.8 t-80 72.63 16.14 4.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.747 0.277 . . . . 1.0 111.747 177.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.34 -79.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.163 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 m -74.59 155.7 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 1.0 110.813 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -129.77 146.5 51.52 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.202 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.67 163.41 15.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -151.34 143.54 24.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.412 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.3 ptt85 -139.4 106.25 5.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.963 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -158.43 83.86 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.418 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.73 -170.24 45.73 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.371 -1.091 . . . . 1.0 110.371 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 40.89 -99.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 1.0 111.095 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 m -162.13 -170.48 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 58.7 mtm -67.59 118.46 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.37 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 82.8 mt -132.96 117.05 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.215 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -91.07 141.32 28.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.588 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.0 t -159.62 179.08 9.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.535 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.35 -158.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.534 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -169.13 -58.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.423 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.2 111.44 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.455 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.3 tt -67.11 -23.53 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.663 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -68.21 -57.71 5.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.77 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.2 t -51.71 -37.88 20.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.877 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.65 -41.98 87.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.719 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.536 ' HG1' ' H ' ' A' ' 90' ' ' MET . 22.2 p -73.79 -50.27 21.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.592 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.536 ' H ' ' HG1' ' A' ' 89' ' ' THR . 93.4 mtp -44.29 -29.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.97 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 tt -74.18 -60.33 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.077 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -47.14 -61.08 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.535 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -43.99 -39.83 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.066 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.69 -63.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.977 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.5 pt -74.62 -1.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.126 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -75.37 -41.28 56.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 1.0 110.458 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -79.56 -8.62 59.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.688 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.94 54.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.625 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.43 176.65 5.25 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.388 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -173.57 68.65 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.522 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.16 -52.24 0.06 OUTLIER 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.427 2.085 . . . . 1.0 112.222 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -79.83 132.74 36.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.548 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.009 -0.996 . . . . 1.0 110.551 -179.824 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.421 ' H ' ' H ' ' B' ' 10' ' ' THR . 24.6 m120 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.425 -0.583 . . . . 1.0 109.425 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.508 ' C ' ' H ' ' B' ' 12' ' ' THR . 3.3 m -152.07 5.42 0.42 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.192 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 59.38 1.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.795 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.508 ' H ' ' C ' ' B' ' 10' ' ' THR . 11.1 m -79.59 -58.07 3.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.812 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 21.5 mt -79.05 -13.99 59.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.813 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -55.07 -35.39 64.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.497 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -67.43 -50.06 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.382 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.48 -20.63 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.383 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.9 m -80.54 -25.95 38.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.218 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -66.34 -28.56 68.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.417 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 40.3 mt -74.31 -58.5 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.494 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -64.39 -45.19 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.757 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -50.63 -41.01 54.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.47 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.22 70.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.43 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 tt -45.5 125.42 5.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.314 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' B' ' 25' ' ' ASP . . . -159.83 124.48 1.35 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.14 -0.784 . . . . 1.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.522 ' C ' ' H ' ' B' ' 27' ' ' ASN . 9.4 m-20 57.17 114.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 1.0 110.656 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -58.31 -3.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' B' ' 25' ' ' ASP . 3.1 m120 -62.89 -17.62 61.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.684 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -61.02 -56.6 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.722 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mm -45.09 -51.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.476 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -45.7 -52.24 11.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.577 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' B' ' 34' ' ' LEU . 83.4 mt -67.07 -62.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.465 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 64.5 mmm -44.35 -32.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.819 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -74.5 -31.44 62.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.82 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' B' ' 31' ' ' ILE . 0.2 OUTLIER -72.1 -38.01 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.279 -178.749 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.47 -45.57 75.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.887 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 51.5 p -46.12 -24.04 0.39 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.794 0.331 . . . . 1.0 110.539 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -78.14 -41.84 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.652 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.511 ' OG ' ' N ' ' B' ' 39' ' ' GLU . 12.3 t -177.64 -113.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.782 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.511 ' N ' ' OG ' ' B' ' 38' ' ' SER . 8.5 pt-20 -166.29 165.47 17.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 1.0 110.464 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.21 176.02 11.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.588 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -69.83 164.21 24.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.592 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' B' ' 43' ' ' GLY . 7.8 p -63.37 -42.34 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 1.0 111.384 -178.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.41 ' N ' ' CG1' ' B' ' 42' ' ' VAL . . . -84.66 -66.77 1.45 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.961 -0.456 . . . . 1.0 111.961 -177.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -39.57 -48.89 2.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.677 0.251 . . . . 1.0 111.677 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 tt -44.81 -32.12 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.963 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -75.46 -42.14 53.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.236 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -59.22 -54.46 46.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.16 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -66.05 -44.55 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.151 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.25 -9.46 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 1.0 110.515 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 67.2 69.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.227 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -140.54 149.01 41.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.043 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.516 ' C ' ' H ' ' B' ' 54' ' ' SER . 17.4 t -77.94 116.74 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.254 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.66 -3.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.444 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.516 ' H ' ' C ' ' B' ' 52' ' ' SER . 8.3 t -76.73 -42.11 42.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 1.0 110.494 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' B' ' 59' ' ' GLN . 1.5 m-20 -87.26 -36.41 17.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.78 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' B' ' 59' ' ' GLN . 92.2 t -43.24 -76.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.325 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -43.4 -47.64 6.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.048 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -65.44 -29.35 70.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.612 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' B' ' 55' ' ' ASN . 5.3 tp-100 -66.86 -59.38 3.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.785 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 39.6 mt -44.11 -33.7 1.57 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.839 0.352 . . . . 1.0 110.858 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -51.58 -52.32 48.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.733 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.19 -27.44 69.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.358 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.485 ' N ' ' CD2' ' B' ' 63' ' ' LEU . 3.4 mm? -76.15 -46.65 27.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.621 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' B' ' 66' ' ' VAL . 58.2 tttm -75.02 -37.77 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.394 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -58.8 0.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.506 -0.315 . . . . 1.0 111.556 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.525 ' H ' ' C ' ' B' ' 64' ' ' LYS . 2.5 t -133.8 15.44 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.665 0.269 . . . . 1.0 110.724 -178.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.4 m170 62.23 15.93 7.96 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.195 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.51 -21.91 55.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.115 0.483 . . . . 1.0 109.765 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -150.46 144.18 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' B' ' 70' ' ' LYS . 3.2 mptp? -96.33 154.91 17.0 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -149.06 100.42 3.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.253 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.428 ' NZ ' ' CB ' ' B' ' 72' ' ' LYS . 2.1 ttmp? -155.35 152.75 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.323 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -82.1 163.25 22.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.744 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -156.09 66.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.905 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.21 27.41 61.98 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.624 -0.59 . . . . 1.0 111.624 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -153.53 -81.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.684 0.278 . . . . 1.0 110.429 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 73.3 p -166.81 -169.46 1.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 21.5 mmt -64.95 119.65 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.363 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 tt -145.95 124.82 5.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.878 0.37 . . . . 1.0 110.482 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 15.8 p90 -112.72 145.73 39.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.754 -178.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.9 p -160.85 174.23 14.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.725 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' B' ' 82' ' ' LEU . 7.0 mp -87.76 120.62 29.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.278 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -85.71 -45.59 11.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -77.8 100.56 6.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.801 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 14.0 mm -61.59 -32.05 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.523 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -45.8 -46.29 15.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.702 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.6 -47.21 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.758 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.42 -62.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.096 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 18.6 m -60.72 -39.56 89.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.017 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 21.4 ttt -45.26 -35.01 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.933 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 94' ' ' ALA . 13.6 mt -74.23 -61.35 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.55 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' B' ' 96' ' ' HIS . 0.9 OUTLIER -45.8 -33.25 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 1.0 110.317 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.51 -30.78 70.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.695 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -73.71 -45.56 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.98 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.486 ' CD1' ' N ' ' B' ' 95' ' ' ILE . 1.9 mp -73.49 -7.85 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.514 -0.312 . . . . 1.0 110.23 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' B' ' 92' ' ' LYS . 39.9 m170 -86.29 -47.39 9.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.516 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -50.85 -36.28 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.452 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.54 -18.73 65.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.607 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -88.02 96.33 10.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.561 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 20.8 t-80 -168.58 58.95 0.39 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' B' ' 102' ' ' LYS . 83.6 Cg_endo -77.33 157.34 33.19 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.608 2.205 . . . . 1.0 111.83 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 101' ' ' PRO . 35.3 ttpt 55.62 112.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.77 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.043 -0.979 . . . . 1.0 110.547 179.821 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.5 m120 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.6 m -153.62 108.51 3.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.461 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.4 -11.47 57.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.706 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.6 m -68.62 -60.18 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.728 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.6 mt -72.84 -20.05 61.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.465 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.01 -35.56 62.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.577 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -75.66 -41.16 54.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.77 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.42 -26.75 27.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.602 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -79.68 -28.88 40.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.131 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.91 -37.54 87.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.164 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.84 -61.21 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.49 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -62.75 -45.16 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.653 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.31 -17.07 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.652 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -44.04 80.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.591 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' ' CD1' ' B' ' 20' ' ' PHE . 13.9 mt -55.49 163.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.477 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.518 ' H ' ' NE ' ' A' ' 28' ' ' ARG . . . -173.42 -83.58 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.723 ' H ' HH21 ' A' ' 28' ' ' ARG . 64.4 m-20 -61.37 178.65 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 1.0 110.597 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -100.27 -49.63 4.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.465 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -69.34 3.24 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.209 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.723 HH21 ' H ' ' A' ' 25' ' ' ASP . 4.2 ptp180 -60.98 -32.52 72.08 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.842 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.1 tt -83.03 -45.67 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.952 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -38.32 -41.56 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.541 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.91 -53.56 25.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.452 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.6 mtp -46.18 -32.44 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.791 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' OG ' ' A' ' 36' ' ' SER . 43.8 mt-10 -66.34 -74.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.771 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.3 tp -49.0 -30.71 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.613 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 38' ' ' SER . 11.0 tp -70.21 -54.77 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.631 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 24.7 p -45.34 -23.56 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.75 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.4 ' O ' ' OG ' ' A' ' 38' ' ' SER . 57.4 t -81.17 -35.38 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.911 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 35' ' ' LEU . 17.2 m -165.61 -138.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.839 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.7 166.68 31.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.421 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.17 -177.92 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.648 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -71.92 168.75 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.7 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 t -65.37 -52.45 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.384 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.99 -43.61 8.11 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.228 -0.511 . . . . 1.0 111.88 -176.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -45.54 -28.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.369 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.4 mt -77.88 -25.37 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.973 -0.291 . . . . 1.0 110.993 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' GLY . 3.5 m -68.91 -51.13 43.2 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.95 -0.3 . . . . 1.0 111.372 -177.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -70.7 -50.35 37.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.249 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -61.71 -46.42 89.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.396 . . . . 1.0 111.136 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 tp -76.89 -1.69 29.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 1.0 110.821 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.55 65.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.946 0.403 . . . . 1.0 110.421 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tp -144.57 153.39 41.76 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.253 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.531 ' C ' ' H ' ' A' ' 54' ' ' SER . 13.9 t -82.23 124.63 30.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.807 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -61.04 1.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.427 -0.351 . . . . 1.0 111.212 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.531 ' H ' ' C ' ' A' ' 52' ' ' SER . 53.6 p -88.62 -26.08 22.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 1.0 110.338 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -86.33 -41.8 14.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.186 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.483 ' CG2' ' H ' ' A' ' 57' ' ' SER . 29.2 m -42.56 -59.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.202 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.483 ' H ' ' CG2' ' A' ' 56' ' ' VAL . 23.2 m -39.62 -64.89 0.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.726 0.298 . . . . 1.0 111.39 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -61.15 -30.97 70.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.577 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.585 HE22 ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -62.18 -67.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.612 -178.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.42 -47.02 85.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.85 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -44.5 -53.73 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.827 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.9 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.558 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.585 ' CD1' HE22 ' A' ' 59' ' ' GLN . 27.1 mt -44.55 -53.65 6.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.92 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -47.4 -49.43 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.042 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.2 m -61.44 -36.01 79.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.188 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.4 t -77.87 -3.59 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.682 -178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 71.41 15.91 6.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.56 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.5 mt -79.96 -13.68 59.16 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.001 -0.37 . . . . 1.0 110.001 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.7 t -148.58 132.33 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.182 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -96.67 -172.47 2.5 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.512 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.08 108.09 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.404 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -75.05 138.85 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.562 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -109.86 90.54 3.34 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.74 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.65 113.51 25.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 38.06 53.36 2.08 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.859 -0.496 . . . . 1.0 111.859 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 67.78 77.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 1.0 110.648 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 t -169.45 104.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.59 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 33.0 mtt -81.98 110.09 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.665 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.52 116.22 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.887 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.491 ' C ' ' HG ' ' A' ' 81' ' ' SER . 41.9 m-85 -73.41 126.13 29.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.85 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.491 ' HG ' ' C ' ' A' ' 80' ' ' TYR . 18.5 m -151.28 142.12 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.662 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.1 tp -90.85 114.06 26.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.313 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.79 -37.77 67.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.559 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 4.5 m-20 -82.35 87.58 6.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.661 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 70.6 mt -77.56 -11.28 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.423 ' ND1' ' N ' ' A' ' 86' ' ' HIS . 2.3 m-70 -61.68 -54.4 43.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.978 -179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.05 -26.8 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.308 . . . . 1.0 110.643 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.43 -48.07 75.01 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.137 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.6 m -63.59 -37.1 86.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 90' ' ' MET . 10.8 tmm? -46.59 -35.38 5.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.691 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 91' ' ' LEU . 3.3 mm? -72.84 -55.95 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.955 -0.387 . . . . 1.0 109.955 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -41.35 -47.72 3.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -66.55 -32.19 73.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.662 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -68.0 -51.69 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.761 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.8 mm -63.61 -11.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.655 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.469 ' C ' ' HD1' ' A' ' 96' ' ' HIS . 4.7 t-80 -83.45 -41.46 18.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.504 -0.317 . . . . 1.0 110.568 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.48 ' O ' ' ND1' ' A' ' 97' ' ' HIS . 1.5 t60 -71.35 2.9 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.493 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.54 67.84 0.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -136.81 177.0 8.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.387 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -162.44 59.39 0.93 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.619 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.54 105.01 2.0 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.718 2.279 . . . . 1.0 111.981 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -76.08 179.3 5.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.619 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.54 179.866 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.494 HD21 ' H ' ' B' ' 9' ' ' ASN . 2.1 p30 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -123.79 -75.31 0.6 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.289 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -172.9 -59.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.736 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.9 m -70.84 -34.31 71.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.78 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 tp -58.86 -45.42 90.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.347 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -46.98 -50.4 19.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.736 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -51.26 -37.42 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.32 -22.16 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.533 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.7 m -79.89 -24.59 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.354 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -70.07 -35.62 74.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.555 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.0 mt -64.57 -58.22 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.682 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.458 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 65.0 m-85 -65.82 -41.84 91.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.876 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -65.39 -33.04 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.857 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.32 91.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.595 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tp -47.12 149.87 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.476 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.522 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -167.83 133.46 2.9 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' B' ' 24' ' ' GLY . 46.2 t0 57.97 117.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 1.0 110.709 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -56.69 -20.98 24.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.758 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.438 ' OD1' ' NH2' ' B' ' 30' ' ' ARG . 55.9 t30 -59.29 -15.52 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.701 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.522 ' NH1' ' O ' ' B' ' 24' ' ' GLY . 0.0 OUTLIER -66.9 -35.3 79.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.539 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.95 -52.71 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.438 ' NH2' ' OD1' ' B' ' 27' ' ' ASN . 57.7 ttp180 -42.21 -46.09 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.062 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.38 -51.8 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.55 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 23.8 ttt -45.95 -31.71 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.766 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.98 -55.24 11.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.732 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.75 -37.72 85.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.36 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.4 tp -65.09 -21.57 66.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.332 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.7 t -77.92 -12.92 60.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.497 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.417 ' O ' ' OG ' ' B' ' 38' ' ' SER . 45.4 t -83.92 -40.66 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.63 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 59.7 m -167.22 -121.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.658 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.04 171.22 11.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 1.0 110.621 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.15 -178.16 6.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.438 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.482 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 9.5 p -70.76 165.95 21.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.495 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -66.31 -38.35 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.093 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -86.03 -57.67 2.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.478 -0.649 . . . . 1.0 111.478 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.712 ' HD1' ' H ' ' B' ' 44' ' ' HIS . 0.2 OUTLIER -40.67 -48.72 2.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.812 0.339 . . . . 1.0 111.167 -178.394 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 15.5 tt -57.59 -33.99 46.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.44 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.484 ' N ' ' O ' ' B' ' 43' ' ' GLY . 10.1 m -71.2 -73.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.39 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -47.42 -47.82 26.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.141 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -51.83 -51.56 55.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.04 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.4 mt -83.4 10.09 9.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.417 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 59.73 67.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 1.0 110.952 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 83.2 mt -138.54 149.17 45.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.989 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.521 ' C ' ' H ' ' B' ' 54' ' ' SER . 15.1 t -78.65 116.82 19.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.442 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -58.35 -2.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.02 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.521 ' H ' ' C ' ' B' ' 52' ' ' SER . 30.5 t -86.23 -28.02 24.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.51 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.68 -44.22 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.999 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' B' ' 59' ' ' GLN . 21.2 m -43.74 -55.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.118 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.48 ' H ' ' CG2' ' B' ' 56' ' ' VAL . 73.4 m -40.15 -38.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.304 . . . . 1.0 111.288 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -80.6 -29.33 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.783 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' B' ' 56' ' ' VAL . 24.9 mt-30 -62.36 -72.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.451 -0.34 . . . . 1.0 111.148 -178.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.4 -50.13 63.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.034 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -44.04 -63.7 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.332 -0.394 . . . . 1.0 111.091 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 tp -40.4 -52.42 2.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.534 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 7.4 mp -66.78 -42.98 85.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.659 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.18 -17.79 63.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.942 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.4 m -81.35 -44.24 17.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.268 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.9 m -76.36 12.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.055 -0.258 . . . . 1.0 111.285 -177.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 70.06 17.05 7.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.325 0.491 . . . . 1.0 112.325 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.22 -83.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.586 -0.446 . . . . 1.0 110.044 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 m -78.0 160.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.793 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -130.21 -164.95 1.47 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.081 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -163.89 -165.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.97 0.415 . . . . 1.0 110.712 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -146.17 135.83 23.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.194 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -78.07 118.69 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.806 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -140.81 103.69 4.55 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.31 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.86 -134.69 46.65 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.44 ' CD ' ' N ' ' B' ' 76' ' ' GLN . 3.6 mp0 -87.23 -15.31 38.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.771 0.32 . . . . 1.0 110.703 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.507 ' OG ' ' N ' ' B' ' 78' ' ' MET . 14.3 t -101.72 -174.85 2.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.31 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.527 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -154.35 119.02 4.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.977 0.418 . . . . 1.0 109.964 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.7 mm -82.68 110.74 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.94 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -74.88 138.92 42.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.434 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.4 p -157.76 160.6 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.541 ' N ' ' CD2' ' B' ' 82' ' ' LEU . 2.8 mm? -81.1 -167.71 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.968 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -157.15 -61.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.34 103.15 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.58 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.58 -20.18 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.598 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.609 ' HD1' ' H ' ' B' ' 86' ' ' HIS . 1.3 m80 -50.75 -40.76 55.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.647 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.3 t -78.11 -47.29 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.843 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.95 -51.34 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.862 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 12.3 t -70.86 -33.87 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.876 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' MET . . . . . 0.449 ' O ' ' SD ' ' B' ' 90' ' ' MET . 1.6 tmt? -57.45 -27.98 62.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.502 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 33.4 tp -80.15 -34.49 37.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.062 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -59.35 -60.59 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.767 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -55.94 -28.07 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.714 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.64 -49.35 63.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.95 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.4 mt -77.51 -8.81 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.989 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -81.64 -40.03 23.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 1.0 110.601 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.47 ' C ' ' H ' ' B' ' 99' ' ' ASN . 46.0 t-80 -67.31 -31.75 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.639 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.31 -15.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.565 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.526 ' N ' HD21 ' B' ' 99' ' ' ASN . 0.0 OUTLIER -167.8 -145.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.522 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.415 ' O ' ' ND1' ' B' ' 100' ' ' HIS . 60.6 t-80 52.68 60.36 12.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.577 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.31 128.38 11.2 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.637 2.225 . . . . 1.0 111.929 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -67.57 -170.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.512 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.043 -0.98 . . . . 1.0 110.644 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.8 m120 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -164.41 128.8 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.507 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -153.86 -10.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.357 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -108.35 -53.07 2.68 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.817 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 tp -69.6 -31.75 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.347 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 17' ' ' THR . 76.6 tt0 -54.6 -14.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.732 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -77.09 -59.12 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.952 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.416 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 23.5 m -61.39 -15.5 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.774 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 33.5 p -78.5 -39.17 38.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.545 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.05 -26.44 68.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.587 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.62 -67.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.812 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 20.0 m-85 -56.34 -42.27 77.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.356 . . . . 1.0 111.022 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -57.84 -33.26 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.721 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.58 88.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.731 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -55.38 157.99 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.5 -91.94 0.08 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.718 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 70.3 m-20 -57.76 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.317 . . . . 1.0 110.502 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.469 ' C ' ' H ' ' A' ' 28' ' ' ARG . 34.2 t80 -99.81 -44.34 6.11 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.344 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -64.67 3.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.388 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.718 ' HE ' ' H ' ' A' ' 25' ' ' ASP . 34.8 mmt180 -50.62 -55.2 17.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 1.0 110.92 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.77 -33.02 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.478 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -47.04 -73.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.909 -0.317 . . . . 1.0 111.086 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 pt -54.72 -37.98 41.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.881 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.3 ttt -53.92 -31.59 50.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.634 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.47 -25.86 59.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.986 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 tp -77.34 -41.9 38.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.886 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.77 -24.82 66.24 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.66 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.8 p -64.21 -21.57 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.793 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.467 ' O ' ' CB ' ' A' ' 38' ' ' SER . 15.6 m -160.05 55.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.765 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.6 m 163.26 98.66 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.161 -0.311 . . . . 1.0 110.161 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -84.84 152.86 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.204 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.25 179.69 7.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 1.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.5 p -83.02 -173.34 4.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.366 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.2 t -78.44 -38.17 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.106 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.27 -60.62 2.35 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.313 -0.715 . . . . 1.0 111.313 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -43.08 -55.37 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.712 0.292 . . . . 1.0 111.081 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.2 tt -53.82 -35.3 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.316 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 51' ' ' LEU . 9.2 t -76.29 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.028 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -52.09 -50.15 62.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.05 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.516 ' C ' ' H ' ' A' ' 50' ' ' ASN . 30.7 mt-30 -55.69 -62.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.03 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 49' ' ' LEU . 7.4 mp -65.01 6.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.908 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.516 ' H ' ' C ' ' A' ' 48' ' ' GLN . 5.2 m120 62.14 31.24 17.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.547 0.213 . . . . 1.0 111.506 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' O ' ' OG ' ' A' ' 46' ' ' SER . 32.8 mt -103.52 150.84 23.53 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 178.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.522 ' C ' ' H ' ' A' ' 54' ' ' SER . 43.2 m -78.16 111.59 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.497 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -56.16 -5.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 52' ' ' SER . 7.8 t -78.88 -42.27 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.416 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.64 -36.7 32.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.583 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 59' ' ' GLN . 98.0 t -46.0 -64.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.685 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 p -43.09 -45.6 5.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.927 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -70.84 -32.16 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.361 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 56' ' ' VAL . 7.9 tt0 -64.05 -59.53 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.817 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.78 -39.01 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.722 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -45.67 -60.85 1.97 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.515 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 tp -46.7 -66.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.548 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.433 ' H ' ' CD1' ' A' ' 63' ' ' LEU . 9.9 mp -45.11 -51.81 9.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.632 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -52.83 -61.46 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.802 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 t -53.88 -30.6 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.496 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 68.4 t -79.92 -6.36 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.732 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 70.17 19.33 6.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.943 0.401 . . . . 1.0 110.762 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.25 -0.67 46.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.14 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -155.19 148.94 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.38 . . . . 1.0 110.829 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -104.98 122.12 45.17 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.241 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 170.07 11.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.877 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -154.96 134.8 12.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.431 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -90.99 114.67 27.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 76' ' ' GLN . 41.0 mt-30 -139.2 133.95 32.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.906 0.384 . . . . 1.0 110.699 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.35 -73.65 0.09 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.202 -0.759 . . . . 1.0 111.202 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 74' ' ' GLN . 47.5 tt0 -157.67 -56.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.607 ' HG ' ' H ' ' A' ' 78' ' ' MET . 37.8 t -63.49 -167.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.639 . . . . 1.0 109.549 177.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.607 ' H ' ' HG ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -131.31 101.71 5.67 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.0 mm -75.77 111.26 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.699 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -76.52 140.16 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.516 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.4 p -152.99 147.92 26.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.543 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -70.98 -167.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.678 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -160.09 -34.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.395 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.85 141.53 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.555 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.2 mm -103.5 -19.34 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.407 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 89' ' ' THR . 7.2 m170 -79.48 -41.33 27.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.983 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.1 t -43.56 -37.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.119 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.04 -29.72 43.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.772 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 86' ' ' HIS . 86.4 m -78.26 -45.0 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.07 -178.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.6 ptm -69.65 -25.76 64.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.076 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.5 tp -71.1 -64.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 1.0 110.351 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -47.62 -30.4 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.147 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -63.27 -33.84 76.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.59 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 -41.25 76.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.377 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.554 ' CD1' ' N ' ' A' ' 95' ' ' ILE . 1.6 mp -78.9 -9.0 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.913 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.416 ' C ' ' H ' ' A' ' 98' ' ' ALA . 71.1 t60 -77.52 -31.98 53.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.553 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' ASN . 22.6 m-70 -74.56 10.09 1.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.663 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 96' ' ' HIS . . . -66.87 69.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.56 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' HIS . 21.7 t-20 -161.09 159.48 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.605 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -64.2 151.41 90.57 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -74.45 126.78 10.55 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 121.844 1.696 . . . . 1.0 111.804 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -68.98 144.97 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.537 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.022 -0.99 . . . . 1.0 110.511 -179.626 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.43 ' O ' ' OG1' ' B' ' 10' ' ' THR . 46.0 m-80 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.539 ' C ' ' H ' ' B' ' 12' ' ' THR . 11.3 m -167.1 -27.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.572 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 72.12 -27.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.986 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.539 ' H ' ' C ' ' B' ' 10' ' ' THR . 7.7 m -71.27 -70.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 1.0 110.728 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -48.74 -52.06 25.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.251 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 17' ' ' THR . 32.9 mt-10 -47.33 -55.15 9.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.744 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -46.74 -41.29 14.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.759 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 -22.53 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.011 0.434 . . . . 1.0 110.493 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.473 ' N ' ' O ' ' B' ' 14' ' ' GLU . 15.5 m -85.48 -14.16 46.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.492 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -81.34 -34.29 31.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.755 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 13.1 pt -69.12 -37.76 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.753 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -67.57 -44.78 77.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.156 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -65.98 -16.68 64.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.026 0.441 . . . . 1.0 110.23 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -47.31 86.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.769 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.402 ' H ' ' CD1' ' B' ' 23' ' ' LEU . 9.7 mp -49.74 164.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.059 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.71 -99.73 0.14 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.73 -0.948 . . . . 1.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.24 114.24 10.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.277 . . . . 1.0 110.264 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -51.96 -16.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.397 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.546 HD21 ' N ' ' B' ' 28' ' ' ARG . 0.4 OUTLIER -77.97 -12.08 59.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 1.0 110.956 -179.064 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.546 ' N ' HD21 ' B' ' 27' ' ' ASN . 5.9 ptm85 -65.87 -23.27 66.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.858 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 91.2 mt -77.39 -49.05 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.762 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -41.33 -43.73 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.153 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 87.3 mt -58.89 -44.7 91.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.607 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 34.1 tpp -59.35 -29.43 67.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.553 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -66.24 -30.53 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.969 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 tp -94.15 -37.37 11.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.859 0.361 . . . . 1.0 110.499 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -69.69 -45.38 68.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.481 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 47.6 t -58.27 -25.08 61.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.914 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 99.0 t -75.66 -30.36 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.543 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 39.3 t -168.52 -119.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.64 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -170.22 162.3 8.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.829 0.347 . . . . 1.0 110.501 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.74 -177.99 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.53 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.524 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 3.3 p -68.52 162.97 24.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.285 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.01 -40.33 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.116 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.426 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -81.46 -48.65 5.83 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.601 -0.6 . . . . 1.0 111.601 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.524 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 0.3 OUTLIER -42.78 -37.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.607 0.241 . . . . 1.0 111.328 -177.656 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -69.74 -30.68 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.511 -0.313 . . . . 1.0 111.288 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.526 ' HG ' ' N ' ' B' ' 47' ' ' HIS . 88.2 p -72.44 -59.1 2.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.445 -0.343 . . . . 1.0 111.4 -177.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.526 ' N ' ' HG ' ' B' ' 46' ' ' SER . 40.9 t-80 -68.64 -53.64 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.307 -177.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.41 ' C ' ' H ' ' B' ' 50' ' ' ASN . 9.1 tm0? -51.43 -48.97 62.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.925 -177.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.04 11.24 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.889 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 50' ' ' ASN . 17.3 t-20 62.66 51.28 3.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.625 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -126.24 153.31 44.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.036 0.446 . . . . 1.0 110.305 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.532 ' C ' ' H ' ' B' ' 54' ' ' SER . 36.2 p -79.37 120.0 23.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.179 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.56 1.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.425 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.532 ' H ' ' C ' ' B' ' 52' ' ' SER . 8.6 t -82.87 -25.6 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.692 0.282 . . . . 1.0 110.867 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -100.41 -29.02 12.63 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.512 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.571 ' CG1' ' H ' ' B' ' 57' ' ' SER . 10.8 p -45.27 -62.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.052 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.571 ' H ' ' CG1' ' B' ' 56' ' ' VAL . 5.7 m -43.08 -36.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 1.0 111.159 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -71.6 -31.03 66.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.95 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' B' ' 56' ' ' VAL . 25.3 mm100 -63.02 -71.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.111 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 mt -44.62 -54.27 6.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.51 -0.314 . . . . 1.0 111.168 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -41.71 -56.69 2.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 1.0 111.104 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.25 -67.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.343 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 17.7 mt -45.75 -51.04 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.065 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -46.59 -69.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.044 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.487 ' C ' ' H ' ' B' ' 67' ' ' HIS . 52.1 p -43.83 -55.09 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.279 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 26.6 t -53.02 -8.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.718 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.487 ' H ' ' C ' ' B' ' 65' ' ' SER . 18.1 t60 71.43 18.5 5.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.451 177.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.06 -15.85 59.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.72 135.09 17.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.26 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -96.48 156.74 16.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.205 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.65 160.37 17.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.467 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.89 118.04 12.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.862 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.528 ' O ' ' NE ' ' B' ' 73' ' ' ARG . 3.0 tmm_? -109.08 81.13 1.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.123 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' B' ' 75' ' ' GLY . 12.9 tm0? -106.37 96.51 6.52 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.568 -0.901 . . . . 1.0 108.568 176.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 74' ' ' GLN . . . 61.72 125.4 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 109.733 -1.347 . . . . 1.0 109.733 -175.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' B' ' 75' ' ' GLY . 9.3 tt0 -29.23 95.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.436 0.532 . . . . 1.0 112.436 -176.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -178.05 111.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.208 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.7 mpt? -59.42 106.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.041 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 93.3 mt -134.21 118.87 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -99.64 139.61 35.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.713 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.538 ' HG ' ' N ' ' B' ' 82' ' ' LEU . 23.0 t -155.48 158.83 39.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.709 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.538 ' N ' ' HG ' ' B' ' 81' ' ' SER . 7.1 mp -81.79 -173.2 4.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.247 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -161.27 -47.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.515 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' B' ' 85' ' ' ILE . 48.8 t0 -52.66 157.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.55 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.459 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 17.6 pt -110.72 -8.65 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.195 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -79.39 -41.74 27.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.797 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.01 -52.83 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.767 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.65 -48.78 66.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.057 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.618 ' HG1' ' H ' ' B' ' 90' ' ' MET . 36.9 p -74.35 -52.68 11.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.873 -178.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' MET . . . . . 0.618 ' H ' ' HG1' ' B' ' 89' ' ' THR . 25.1 ttt -40.44 -40.64 1.25 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.481 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -70.76 -53.23 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 1.0 110.455 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.526 ' O ' ' CD2' ' B' ' 96' ' ' HIS . 53.7 mttp -54.49 -45.38 73.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.748 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -52.96 -37.77 61.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.872 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.74 -46.54 62.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.962 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.7 mt -78.48 -8.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.951 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' B' ' 92' ' ' LYS . 21.2 m170 -82.15 -37.04 26.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 1.0 110.325 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.487 ' C ' ' H ' ' B' ' 99' ' ' ASN . 35.3 m80 -47.19 -38.01 11.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.527 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' B' ' 99' ' ' ASN . . . 58.68 4.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.635 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.487 ' H ' ' C ' ' B' ' 97' ' ' HIS . 36.4 t30 60.54 141.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.784 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.4 t60 50.41 67.74 4.08 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.762 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.25 175.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.67 2.247 . . . . 1.0 112.123 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -55.25 -175.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.467 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . 0.416 ' CD ' ' N ' ' B' ' 103' ' ' GLU . 30.4 mp0 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.986 -1.007 . . . . 1.0 110.559 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.474 HD21 ' C ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -176.29 -31.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.465 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -63.83 -1.09 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.634 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.468 ' H ' ' C ' ' A' ' 10' ' ' THR . 29.5 p -80.72 -63.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.701 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.56 -36.31 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.801 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.86 -54.0 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.959 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -47.4 -52.3 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.961 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.36 -10.78 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.23 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -70.75 -22.32 62.42 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.159 -0.617 . . . . 1.0 109.857 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -86.89 -56.23 3.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.409 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 20' ' ' PHE . 13.4 tt -46.89 -48.77 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.854 -0.338 . . . . 1.0 111.541 -175.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.46 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 49.1 m-85 -69.92 -40.62 75.44 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.683 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -71.05 -7.32 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 1.0 110.606 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.517 ' C ' ' H ' ' A' ' 24' ' ' GLY . . . -84.83 -41.98 15.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.365 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.8 pp -72.78 25.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.903 -0.319 . . . . 1.0 111.457 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' A' ' 22' ' ' ALA . . . -65.72 67.79 0.12 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.217 -0.753 . . . . 1.0 111.217 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.52 ' OD2' ' N ' ' A' ' 28' ' ' ARG . 26.0 t70 -173.58 86.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 1.0 110.38 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -55.44 -18.05 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.246 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -82.19 -17.29 46.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 1.0 110.779 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.52 ' N ' ' OD2' ' A' ' 25' ' ' ASP . 20.2 tpt180 -68.07 -55.8 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.988 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 30' ' ' ARG . 20.5 tt -43.24 -49.03 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.192 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 75.0 ttt180 -46.02 -37.27 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 1.0 110.631 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' LEU . 27.7 mt -75.54 -55.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.559 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.426 ' O ' ' OG ' ' A' ' 36' ' ' SER . 70.0 mtp -45.99 -38.08 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.634 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -68.32 -33.68 74.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.573 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -78.42 -42.8 29.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 1.0 109.966 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.93 -16.35 64.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.221 0.534 . . . . 1.0 109.817 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 32' ' ' MET . 71.9 m -71.27 -15.81 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.7 m -156.1 65.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.862 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -155.74 -65.08 0.12 Allowed 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.968 -0.293 . . . . 1.0 111.609 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 61.51 103.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.762 -0.459 . . . . 1.0 109.762 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.73 -176.34 5.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.906 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -68.75 173.72 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.322 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.3 p -78.41 -41.18 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.885 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.22 -46.39 8.21 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.168 -0.773 . . . . 1.0 111.168 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.415 ' HD1' ' N ' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -46.79 -62.19 1.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.921 0.391 . . . . 1.0 110.704 -179.352 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.2 tt -53.44 -30.61 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.395 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.7 t -75.69 -40.15 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.777 -0.369 . . . . 1.0 111.425 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.552 ' HE2' ' NE2' ' A' ' 53' ' ' GLN . 38.1 m170 -59.82 -57.81 11.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.889 -176.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.5 -42.55 99.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.46 -0.336 . . . . 1.0 111.462 -175.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.89 -1.87 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.505 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 58.58 65.73 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.982 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.8 mt -137.57 151.48 48.41 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.015 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 t -76.61 109.64 10.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.214 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.552 ' NE2' ' HE2' ' A' ' 47' ' ' HIS . 33.2 mt-30 -41.82 -52.52 3.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.917 0.389 . . . . 1.0 111.325 -178.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.516 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 36.3 p -42.98 -45.66 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.033 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -71.2 -37.15 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.63 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 59' ' ' GLN . 64.5 t -60.94 -71.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.754 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.2 t -45.25 -37.2 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.814 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' SER . 52.8 m170 -73.7 -24.38 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.566 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' VAL . 66.3 tp60 -70.37 -48.14 57.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.504 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.34 -41.8 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -45.98 -66.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.662 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.6 tp -49.08 -69.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.393 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tp -45.07 -45.97 11.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.413 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -47.0 -54.4 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 1.0 111.161 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 40.7 t -56.52 -17.86 9.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.321 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 4.2 t -81.27 -9.73 12.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.692 -0.231 . . . . 1.0 110.863 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 65' ' ' SER . 1.2 m170 75.0 19.38 2.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.6 -0.273 . . . . 1.0 111.706 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.8 mt -92.39 -2.71 56.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.561 0.219 . . . . 1.0 110.962 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -154.55 149.41 12.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.954 0.407 . . . . 1.0 110.664 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -114.45 -165.26 1.0 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.913 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.91 125.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.998 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -88.02 132.54 34.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.41 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -78.42 118.86 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.854 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -138.2 118.88 14.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.135 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.2 -143.77 15.03 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.618 -0.993 . . . . 1.0 110.618 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.562 ' NE2' ' H ' ' A' ' 76' ' ' GLN . 3.2 mp0 -76.04 -30.62 58.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.665 0.269 . . . . 1.0 110.917 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -88.77 -168.24 2.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.888 0.375 . . . . 1.0 110.899 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -158.19 123.92 4.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.741 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.557 ' N ' ' CD1' ' A' ' 79' ' ' ILE . 1.6 mp -89.36 117.65 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.132 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -76.27 155.86 33.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.531 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.604 ' HG ' ' N ' ' A' ' 82' ' ' LEU . 14.2 t -170.29 155.35 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.68 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.604 ' N ' ' HG ' ' A' ' 81' ' ' SER . 16.2 mt -70.53 -149.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.354 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 4.8 p-10 -171.87 -67.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.471 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.516 ' H ' ' CG ' ' A' ' 83' ' ' ASP . 12.0 m-20 -78.36 108.15 11.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.507 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.6 pt -71.01 8.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.485 ' H ' ' C ' ' A' ' 84' ' ' ASP . 1.2 t-80 -57.92 -64.91 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.674 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 90' ' ' MET . 27.0 m -64.55 -45.61 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.883 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.63 -48.36 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 1.0 110.936 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.3 p -76.53 -12.79 60.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' VAL . 12.6 tpt -79.54 -33.62 41.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.032 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.3 mp -70.21 -49.94 45.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -54.22 -42.94 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.553 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.0 -26.61 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.473 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.8 -52.29 15.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.698 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.535 ' CD1' ' N ' ' A' ' 95' ' ' ILE . 1.5 mp -71.76 -8.75 11.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.9 -55.84 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.497 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -77.19 -0.39 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.488 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.74 55.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.515 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.11 -3.68 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.335 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -50.9 -63.71 1.75 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.461 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -62.8 135.5 52.43 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 121.801 1.667 . . . . 1.0 111.676 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -163.38 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.514 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.206 179.755 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.352 -0.611 . . . . 1.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.3 m -160.42 -39.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.512 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.15 6.39 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.669 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 64.5 m -67.43 -60.54 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.292 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' B' ' 17' ' ' THR . 0.5 OUTLIER -92.42 -8.45 44.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.613 0.244 . . . . 1.0 110.825 -179.347 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -58.11 -38.38 76.35 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.666 -0.413 . . . . 1.0 110.285 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -52.35 -58.76 5.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.659 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.7 p -66.32 -16.01 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.597 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 13' ' ' LEU . 6.8 m -79.35 -19.41 50.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 1.0 110.544 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -80.15 -42.56 23.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.094 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 pt -64.63 -35.15 73.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.144 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -65.51 -43.76 89.08 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.197 -0.601 . . . . 1.0 109.516 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -45.38 -45.57 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.766 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.4 -29.69 70.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.747 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.07 140.12 53.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.888 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.11 179.88 31.49 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 60.13 85.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.711 0.291 . . . . 1.0 110.81 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -42.02 -28.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.485 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -63.96 -9.17 14.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.722 0.296 . . . . 1.0 111.308 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.542 ' NH1' ' SD ' ' B' ' 32' ' ' MET . 72.1 ttt-85 -64.52 -68.74 0.33 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.059 -178.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 79.3 mt -42.65 -50.4 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.103 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -40.08 -69.74 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.444 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 pt -68.9 -39.94 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.19 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' MET . . . . . 0.542 ' SD ' ' NH1' ' B' ' 28' ' ' ARG . 8.6 ttt -54.76 -38.85 67.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.781 -0.368 . . . . 1.0 110.589 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -65.46 -64.01 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.706 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.16 -31.99 67.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.805 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.9 tp -69.09 -16.5 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 1.0 110.344 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -70.26 -15.25 62.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.434 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 6.4 m -153.81 64.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.256 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 34.9 p -163.69 -173.43 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.676 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -174.96 117.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.23 -177.71 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.62 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 20.7 m -71.58 172.82 8.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.078 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.5 m -78.7 -31.4 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.663 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.81 -57.67 2.25 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -43.05 -52.01 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 1.0 111.1 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 16.2 tt -51.78 -32.42 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.888 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.6 t -71.49 -70.62 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.086 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -45.05 -48.13 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.914 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -53.4 -59.41 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.111 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.1 mt -74.33 9.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.034 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.504 ' N ' ' OD1' ' B' ' 50' ' ' ASN . 0.8 OUTLIER 61.71 64.87 0.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.695 0.283 . . . . 1.0 111.064 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 30.8 mt -133.76 144.37 49.02 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.904 -0.406 . . . . 1.0 109.904 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.524 ' C ' ' H ' ' B' ' 54' ' ' SER . 32.3 t -79.29 117.21 20.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.589 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -58.57 -0.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.296 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.524 ' H ' ' C ' ' B' ' 52' ' ' SER . 14.0 t -73.2 -44.54 59.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 1.0 110.478 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' B' ' 59' ' ' GLN . 62.6 t30 -85.36 -33.61 21.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.88 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' B' ' 59' ' ' GLN . 94.7 t -42.91 -77.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.115 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.9 t -39.28 -40.4 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.536 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -79.07 -27.24 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.677 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.6 OUTLIER -67.59 -50.63 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.696 -178.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.93 -48.14 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 1.0 110.498 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -43.24 -48.29 6.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.784 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tt -54.99 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.057 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.439 ' CD1' HE22 ' B' ' 59' ' ' GLN . 28.7 mt -42.32 -52.8 4.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -44.35 -64.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.126 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.9 m -50.07 -34.72 22.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.333 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.459 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 26.5 t -77.69 -4.8 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.8 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.459 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 4.3 m80 76.28 19.94 1.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.867 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 43.3 mt -85.41 -19.36 31.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.601 0.238 . . . . 1.0 110.632 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 m -149.47 143.54 18.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.522 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -106.84 -166.06 1.13 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.154 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -166.86 170.03 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.616 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -150.18 139.79 21.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.367 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -83.18 115.64 22.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.63 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' B' ' 76' ' ' GLN . 17.8 tt0 -140.79 139.86 34.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.378 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.88 -79.29 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' B' ' 74' ' ' GLN . 1.6 pm0 -159.4 -41.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.479 ' O ' ' SD ' ' B' ' 78' ' ' MET . 18.8 p -64.69 -167.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.912 177.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.479 ' SD ' ' O ' ' B' ' 77' ' ' SER . 10.9 mmt -139.57 105.02 5.07 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' B' ' 79' ' ' ILE . 1.6 mp -79.23 112.07 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.222 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -81.17 142.43 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.373 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 15.3 t -164.33 123.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.649 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.433 ' N ' ' CD2' ' B' ' 82' ' ' LEU . 0.7 OUTLIER -74.32 -167.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.611 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -151.43 -31.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.595 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -70.43 82.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.473 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 26.2 pt -75.39 2.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.451 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -79.07 -54.03 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.648 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 10.5 m -62.04 -30.11 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.705 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.53 -49.95 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.498 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 49.3 p -67.63 -46.48 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 62.4 mtt -45.61 -31.85 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.626 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' B' ' 94' ' ' ALA . 15.1 tp -78.97 -61.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.184 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -45.83 -34.76 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.591 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -70.78 -30.14 66.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.462 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -70.96 -38.93 72.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.628 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.8 mm -78.27 -9.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.859 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -88.75 -35.57 16.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.737 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -52.53 -33.28 44.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.69 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.2 -13.16 61.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.704 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.603 HD21 ' N ' ' B' ' 100' ' ' HIS . 0.5 OUTLIER -52.34 114.23 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.9 -179.302 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.603 ' N ' HD21 ' B' ' 99' ' ' ASN . 11.7 t60 -173.07 -36.32 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.465 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.593 ' CD ' ' H ' ' B' ' 100' ' ' HIS . 24.0 Cg_exo -66.39 33.38 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 121.816 1.677 . . . . 1.0 112.249 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' B' ' 100' ' ' HIS . 54.2 tttp -164.91 91.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 1.0 110.702 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.978 -1.011 . . . . 1.0 110.56 179.75 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.2 m120 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.1 p -75.95 57.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.6 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -161.17 -32.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.367 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.0 m -85.19 -50.55 7.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.166 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 17' ' ' THR . 17.9 mt -87.53 -7.03 58.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.133 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.67 -38.38 72.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.932 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -76.22 -48.07 21.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.97 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 t -67.83 -22.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 1.0 110.48 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 13' ' ' LEU . 53.4 m -75.19 -30.4 60.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.369 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.8 -27.52 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.543 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.5 mt -64.55 -57.41 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.46 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 63.8 m-85 -52.08 -41.54 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.929 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' NZ ' ' CE2' ' B' ' 26' ' ' TYR . 91.9 mttt -81.47 0.51 37.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.976 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -57.33 11.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.346 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -62.34 -167.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.853 -177.54 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -169.86 -108.51 0.21 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.806 -0.917 . . . . 1.0 110.806 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.92 112.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 1.0 110.419 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.504 ' C ' ' H ' ' A' ' 28' ' ' ARG . 14.2 m-85 -39.46 -34.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.773 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.518 ' ND2' ' OE1' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -59.89 -1.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.864 -0.335 . . . . 1.0 110.881 -179.205 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 26' ' ' TYR . 4.3 tmt_? -58.89 -49.46 77.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.344 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.37 -45.05 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.764 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -52.44 -72.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 32' ' ' MET . 21.2 tt -51.85 -43.57 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.952 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.462 ' SD ' ' CZ ' ' A' ' 28' ' ' ARG . 28.0 ttt -63.26 -19.55 64.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.853 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -69.19 -70.6 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.084 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -52.76 -30.94 35.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.63 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 37' ' ' VAL . 0.8 OUTLIER -64.85 -28.27 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.576 -0.528 . . . . 1.0 109.576 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -50.98 -16.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.193 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.429 ' O ' ' OG ' ' A' ' 38' ' ' SER . 6.4 p -163.91 73.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.625 0.726 . . . . 1.0 110.393 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 27.8 m -171.72 165.11 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.511 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -155.08 121.05 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.165 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.96 -177.64 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.701 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 m -80.32 -170.9 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.335 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.27 -44.9 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.48 -26.91 68.75 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.75 -30.72 70.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 1.0 110.375 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.4 mm -61.79 -28.98 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.853 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 50' ' ' ASN . 13.4 t -71.35 -69.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.082 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -54.44 -50.28 68.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.994 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -40.04 -66.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.48 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.61 23.54 12.62 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.583 0.216 . . . . 1.0 111.583 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 46' ' ' SER . 47.9 t-20 57.73 96.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.299 177.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 46' ' ' SER . 58.0 tp -164.38 152.23 12.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.951 177.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 54' ' ' SER . 23.8 p -78.9 107.45 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.653 0.263 . . . . 1.0 110.662 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.14 0.65 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.718 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.511 ' H ' ' C ' ' A' ' 52' ' ' SER . 10.5 m -73.11 -48.03 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.621 ' ND2' ' N ' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -80.74 -30.47 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.727 -179.731 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.621 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 84.9 t -46.55 -75.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.614 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -43.34 -41.84 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.966 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 58.8 t-80 -70.53 -24.12 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.749 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.518 ' OE1' ' ND2' ' A' ' 27' ' ' ASN . 15.9 tt0 -79.34 -38.55 34.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.392 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.92 -47.76 81.85 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.029 -0.269 . . . . 1.0 111.203 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' NZ ' ' CB ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -44.75 -41.94 7.31 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.924 -0.31 . . . . 1.0 110.603 -178.342 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -59.76 -70.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.051 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.7 mt -41.67 -54.66 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.987 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -51.06 -49.89 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.169 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -57.62 -34.76 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.253 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.4 t -77.79 -1.5 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.085 -0.246 . . . . 1.0 110.845 -177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 t60 74.46 22.68 2.08 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.971 0.359 . . . . 1.0 111.971 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.2 mt -94.34 -14.22 25.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.553 0.215 . . . . 1.0 110.864 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.5 t -149.0 139.19 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.932 0.396 . . . . 1.0 110.719 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -110.07 -178.28 3.48 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.205 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.85 172.38 7.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.4 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -155.34 153.75 30.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.816 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -104.4 118.38 36.47 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.9 -0.591 . . . . 1.0 109.888 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -160.81 59.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.422 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.48 72.91 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.072 -1.211 . . . . 1.0 110.072 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 54.17 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 1.0 110.238 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -63.88 161.26 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.945 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -112.33 128.94 56.43 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.985 -0.376 . . . . 1.0 109.985 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.8 mt -86.44 124.19 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.46 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -83.99 150.73 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.693 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.8 t -157.06 148.23 21.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.653 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.94 -156.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.547 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 2.6 p-10 -165.92 -69.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.633 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.521 ' H ' ' CG ' ' A' ' 83' ' ' ASP . 22.2 p-10 -70.81 100.18 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.678 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.8 pt -68.68 9.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.669 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.52 ' H ' ' C ' ' A' ' 84' ' ' ASP . 60.0 t60 -76.04 -26.93 57.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.725 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -78.74 -32.72 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.729 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.67 -53.51 18.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.773 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.3 t -71.98 -51.21 23.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.702 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.3 ttt -39.14 -41.92 0.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.633 -178.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.77 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 1.0 110.481 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.695 ' HZ2' ' HE2' ' A' ' 96' ' ' HIS . 44.6 tttp -49.47 -38.11 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.255 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -75.65 -42.19 52.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 1.0 111.268 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.77 -34.51 71.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.24 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.3 tt -80.77 -10.06 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.939 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.695 ' HE2' ' HZ2' ' A' ' 92' ' ' LYS . 28.7 m170 -74.69 -60.06 2.45 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.676 -0.49 . . . . 1.0 109.676 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' ASN . 65.5 t-80 -79.41 -48.33 14.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.494 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.73 -72.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.792 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' HIS . 43.9 p-10 -173.89 -141.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.884 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.638 ' HD1' ' N ' ' A' ' 100' ' ' HIS . 0.6 OUTLIER -86.07 136.93 35.53 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 109.912 -0.403 . . . . 1.0 109.912 178.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -81.09 132.74 8.53 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.657 1.571 . . . . 1.0 112.11 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -80.59 132.11 35.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.377 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.973 -1.013 . . . . 1.0 110.561 -179.582 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' B' ' 9' ' ' ASN . 1.4 m-20 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 41.2 p -138.98 154.29 48.26 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.531 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -155.04 -40.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.738 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.0 m -66.62 -59.85 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.306 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.418 ' O ' ' OG1' ' B' ' 17' ' ' THR . 17.9 mt -65.54 -30.64 71.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.345 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -58.01 -25.95 61.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.611 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -60.74 -66.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.424 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.405 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 12.1 m -57.91 -14.07 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.607 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 13' ' ' LEU . 4.9 m -82.24 -18.09 43.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.461 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -77.48 -36.49 52.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.842 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.2 pt -69.16 -37.5 76.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.237 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 59.9 m-85 -71.39 -39.7 71.0 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.243 -0.583 . . . . 1.0 110.36 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -69.0 -8.14 42.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.664 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.77 -51.82 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.958 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.98 156.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.958 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' B' ' 25' ' ' ASP . . . -169.82 163.51 36.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.628 -0.989 . . . . 1.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 24' ' ' GLY . 42.4 m-20 48.81 -179.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 1.0 110.564 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 7.0 m-85 -99.69 -53.22 3.25 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.725 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.516 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 3.3 t30 -69.91 2.62 3.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.615 -176.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -60.26 -49.72 76.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.754 -0.378 . . . . 1.0 110.988 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' B' ' 30' ' ' ARG . 19.9 tt -67.56 -43.51 87.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.983 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.43 ' N ' ' CG2' ' B' ' 29' ' ' ILE . 82.9 mtp180 -46.1 -32.09 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.805 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.414 ' CD1' ' OE1' ' B' ' 59' ' ' GLN . 96.0 mt -63.23 -61.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 1.0 110.487 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 49.0 mtt -49.61 -29.53 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.851 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.9 -30.44 58.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.857 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.42 ' O ' ' OG ' ' B' ' 38' ' ' SER . 10.4 tp -76.24 -40.41 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.62 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 mt -72.22 -20.53 61.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.553 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 20.3 t -60.57 -19.99 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.395 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.423 ' O ' ' OG ' ' B' ' 38' ' ' SER . 13.3 m -157.15 58.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.259 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 5.1 m -167.23 171.75 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.604 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -156.08 122.07 5.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.171 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.07 179.11 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.668 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.9 t -77.93 -179.62 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.318 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.4 m -79.13 -35.49 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.6 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.01 -46.76 8.08 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -47.09 -69.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 1.0 110.523 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 13.3 tt -44.72 -36.09 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -71.46 -48.36 49.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.071 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.411 ' C ' ' ND1' ' B' ' 47' ' ' HIS . 18.3 t-80 -74.57 -50.73 16.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.804 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.415 ' C ' ' H ' ' B' ' 50' ' ' ASN . 28.6 mt-30 -54.71 -49.81 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.098 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 tp -74.77 10.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.012 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' B' ' 48' ' ' GLN . 13.4 m-80 61.74 52.39 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.553 177.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -124.16 148.42 47.24 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 176.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.523 ' C ' ' H ' ' B' ' 54' ' ' SER . 14.9 t -77.32 118.06 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.313 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -54.98 -4.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.357 . . . . 1.0 111.255 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.523 ' H ' ' C ' ' B' ' 52' ' ' SER . 12.3 t -83.69 -11.59 57.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.34 . . . . 1.0 110.589 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -102.38 -50.27 3.65 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.108 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.606 ' CG1' ' H ' ' B' ' 57' ' ' SER . 8.8 p -49.48 -64.93 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.958 -176.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.606 ' H ' ' CG1' ' B' ' 56' ' ' VAL . 79.6 p -42.28 -51.2 4.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 1.0 111.1 -178.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.462 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 22.6 t-80 -66.97 -25.93 66.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.603 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' B' ' 56' ' ' VAL . 42.1 tt0 -69.67 -55.68 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.166 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 44.2 mt -51.36 -41.86 60.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 1.0 110.92 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -43.11 -59.13 2.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.066 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.94 -72.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.488 -178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.475 ' CD1' ' H ' ' B' ' 63' ' ' LEU . 10.1 mp -37.94 -56.28 1.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.362 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -44.98 -36.47 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.087 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.514 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 25.8 p -75.58 -25.87 57.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.066 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.425 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 3.9 t -77.91 -7.51 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.936 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' B' ' 65' ' ' SER . 6.8 m-70 73.45 19.71 3.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.566 0.222 . . . . 1.0 111.483 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 35.1 mt -92.98 -11.11 34.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.648 -0.251 . . . . 1.0 110.756 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 23.3 m -149.48 143.92 18.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.891 0.377 . . . . 1.0 110.74 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -121.3 -163.74 1.07 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.101 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.03 177.76 4.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 1.0 111.094 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -154.93 149.15 26.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.349 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -79.21 110.53 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.815 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' B' ' 75' ' ' GLY . 0.5 OUTLIER -122.34 89.64 3.15 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.157 -0.474 . . . . 1.0 109.956 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 52.72 109.5 0.01 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.467 ' CD ' ' N ' ' B' ' 77' ' ' SER . 3.7 tm0? 53.38 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 1.0 110.976 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 75' ' ' GLY . 97.1 p -66.65 -168.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.777 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.3 mtt -146.97 119.96 8.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.068 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 91.2 mt -82.25 120.09 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.786 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -82.11 151.64 26.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.424 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.7 p -170.21 159.1 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tp -65.45 -157.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -173.93 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 1.0 110.797 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.23 110.19 13.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.937 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.46 -24.47 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.529 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -61.07 -63.66 1.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.607 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 90.1 t -54.15 -52.15 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.483 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.39 -49.82 6.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.935 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.9 m -70.79 -31.31 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.877 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.1 tpt -51.96 -32.78 34.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.765 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' B' ' 94' ' ' ALA . 10.3 mp -76.79 -50.6 13.13 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' B' ' 96' ' ' HIS . 31.5 mmtm -44.83 -45.47 10.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.633 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.75 -28.81 67.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -69.54 -53.93 16.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.127 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' B' ' 95' ' ' ILE . 1.6 mp -69.05 -7.27 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' B' ' 92' ' ' LYS . 40.0 m170 -84.96 -33.97 22.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.332 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.512 ' C ' ' H ' ' B' ' 99' ' ' ASN . 76.9 t60 -45.38 -26.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.736 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.57 39.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.424 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' B' ' 97' ' ' HIS . 31.9 m120 -50.26 -91.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.853 -179.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -51.54 139.26 28.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.102 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.89 129.9 9.26 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 121.612 1.541 . . . . 1.0 112.005 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 52.7 mttm 44.95 -117.71 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.706 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.371 -179.458 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 11' ' ' ASP . 29.4 t30 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 10' ' ' THR . 1.4 t -72.75 20.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.931 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.517 ' H ' ' C ' ' A' ' 9' ' ' ASN . 62.0 t0 -172.49 -39.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.65 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -65.68 -58.84 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.692 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tp -65.11 -36.13 83.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.534 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -55.58 -35.87 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.979 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -72.87 -43.82 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.402 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.6 -23.7 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.717 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.42 ' H ' ' HG1' ' A' ' 17' ' ' THR . 17.8 p -82.3 -21.06 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.309 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.23 -22.25 48.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.51 -68.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.656 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -53.26 -36.93 61.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.869 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -70.86 -19.5 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.631 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.9 25.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.405 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 9.9 mp -63.38 175.02 1.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.107 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.73 -117.27 0.69 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.09 149.7 49.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.734 0.302 . . . . 1.0 110.672 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -51.2 -20.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.862 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 1.4 m120 -78.43 -19.61 52.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.994 -178.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -58.14 -71.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.027 -178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.481 ' C ' ' H ' ' A' ' 31' ' ' ILE . 19.2 tt -39.54 -43.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.87 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -46.91 -14.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 1.0 111.092 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 29' ' ' ILE . 4.1 tp -71.96 -36.69 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 1.0 110.456 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 43.4 ttm -74.74 -39.51 61.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.868 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -51.27 -48.7 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.994 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -78.64 -40.81 33.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.786 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.9 tp -66.79 -26.08 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.659 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.9 p -70.01 -17.76 63.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.704 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.418 ' O ' ' OG ' ' A' ' 38' ' ' SER . 63.4 t -84.83 -46.6 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.881 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 12.9 m -167.4 -147.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.821 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -138.67 159.53 41.87 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.227 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.92 -179.56 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.733 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.6 t -73.02 171.9 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.576 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -69.4 -45.41 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.856 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.19 -47.88 42.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -45.08 -27.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 1.0 110.684 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.3 mt -81.88 -38.43 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 t -70.76 -55.58 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.176 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -61.07 -53.51 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.48 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.504 ' C ' ' H ' ' A' ' 50' ' ' ASN . 7.0 tt0 -67.71 -68.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.294 -177.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.07 -6.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.299 -177.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.504 ' H ' ' C ' ' A' ' 48' ' ' GLN . 19.7 t30 61.54 66.56 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.792 0.329 . . . . 1.0 110.926 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.0 mt -139.35 151.67 46.55 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.841 -0.429 . . . . 1.0 109.841 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 54' ' ' SER . 58.8 m -77.81 114.11 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.638 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.7 pm0 -55.89 -5.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.904 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.519 ' H ' ' C ' ' A' ' 52' ' ' SER . 74.1 m -76.97 -38.43 53.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.242 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' GLN . 2.1 m-20 -82.54 -33.55 28.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.486 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 59' ' ' GLN . 99.5 t -46.71 -69.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.631 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -42.61 -39.93 2.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.073 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -75.43 -31.6 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.156 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 56' ' ' VAL . 8.9 tt0 -63.26 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.561 . . . . 1.0 111.005 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -50.18 -45.05 53.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.886 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -46.68 -64.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.336 . . . . 1.0 110.669 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 tp -40.98 -69.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.088 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.413 ' H ' ' CD1' ' A' ' 63' ' ' LEU . 9.5 mp -46.77 -44.74 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.448 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' NZ ' ' CB ' ' A' ' 64' ' ' LYS . 2.6 ttmp? -63.29 -41.31 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.68 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 p -67.75 -21.89 65.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.422 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.8 t -81.0 -4.74 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.461 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 t60 74.23 16.25 3.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.49 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 tt -82.99 -77.27 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.119 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.63 162.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.88 0.372 . . . . 1.0 110.79 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -133.41 177.57 7.58 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.823 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -160.93 121.37 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.968 0.413 . . . . 1.0 111.146 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -87.23 156.73 19.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.194 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -118.79 118.67 32.22 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.276 -0.42 . . . . 1.0 109.947 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -161.08 73.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.076 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 125.0 87.14 0.7 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 178.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.448 ' N ' ' CD ' ' A' ' 76' ' ' GLN . 26.7 mp0 50.56 -88.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 1.0 110.817 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' GLY . 66.9 m -70.91 -167.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.569 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.7 mtt -129.86 176.47 8.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mt -142.91 105.07 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.933 0.397 . . . . 1.0 110.531 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -67.45 146.09 54.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.652 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -160.73 147.09 15.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.005 0.431 . . . . 1.0 111.234 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.62 95.82 10.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.67 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.37 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.869 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -42.87 100.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.129 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 20.1 pt -77.46 0.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.664 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -73.29 -38.31 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.698 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.2 t -71.51 -34.65 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.686 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.84 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.632 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -80.54 -59.36 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.801 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 26.2 ttt -45.21 -36.96 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.245 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.9 tp -74.76 -32.67 62.13 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.525 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -66.28 -60.21 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.26 -28.01 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.777 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.36 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.573 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 73.7 mt -79.6 -7.21 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.507 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.51 ' C ' ' H ' ' A' ' 98' ' ' ALA . 36.1 t-80 -77.95 -38.94 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.675 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 18.8 t-160 -70.08 10.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.6 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.51 ' H ' ' C ' ' A' ' 96' ' ' HIS . . . -80.95 46.44 0.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.685 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -76.44 -165.27 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.742 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.523 ' HD1' ' N ' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -170.06 60.75 0.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.607 -179.433 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.94 -168.67 0.61 Allowed 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.717 2.278 . . . . 1.0 112.054 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 102' ' ' LYS . 2.4 mptp? -62.07 103.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.2 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.039 -0.981 . . . . 1.0 110.558 -179.753 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 m120 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.349 -0.612 . . . . 1.0 109.349 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.9 p -61.18 -145.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.632 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -164.88 -28.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.705 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 66.7 p -70.14 -61.05 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.842 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.9 -55.3 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.404 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -51.7 -38.93 57.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.874 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -59.38 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.498 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.72 -22.32 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.493 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.7 m -74.55 -20.42 59.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.285 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -77.47 -35.03 54.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.426 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 33.3 mt -59.01 -63.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.342 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -52.9 -42.55 65.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.616 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.19 -40.97 91.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.004 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.562 ' C ' ' H ' ' B' ' 24' ' ' GLY . . . -42.35 -44.78 4.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.667 0.27 . . . . 1.0 111.106 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 mp -66.76 27.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.645 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' B' ' 22' ' ' ALA . . . -47.33 -49.28 20.02 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.821 -0.911 . . . . 1.0 110.821 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.415 ' OD2' ' OE1' ' B' ' 59' ' ' GLN . 1.0 OUTLIER -76.36 166.49 23.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 1.0 110.457 179.782 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.475 ' C ' ' H ' ' B' ' 28' ' ' ARG . 88.8 m-85 -100.07 -53.97 3.01 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.546 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -64.79 3.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.473 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.519 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 29.2 ttm180 -58.96 -44.43 91.48 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.688 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 74.0 mt -65.65 -48.92 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.768 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -46.24 -48.04 17.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.602 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 71.4 mt -76.68 -58.18 4.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.792 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' B' ' 32' ' ' MET . 1.7 tmt? -45.55 -35.17 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.763 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.35 -67.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.848 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.16 -32.91 50.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.145 0.497 . . . . 1.0 110.276 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.8 OUTLIER -70.71 -44.85 66.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.401 -179.381 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -40.45 -21.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.727 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.2 p -158.43 72.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.789 0.804 . . . . 1.0 110.667 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.512 ' HG ' ' H ' ' B' ' 39' ' ' GLU . 27.6 t -172.25 -160.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.557 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.512 ' H ' ' HG ' ' B' ' 38' ' ' SER . 6.2 pt-20 -175.66 129.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.486 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.08 166.73 25.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.633 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 50.4 m -83.5 -178.81 7.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.678 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.6 -49.9 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.096 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -81.0 -34.79 26.03 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -178.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -55.34 -57.18 12.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.725 0.298 . . . . 1.0 110.932 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 tt -57.18 -32.47 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.936 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 54.1 p -72.09 -67.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.288 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.521 ' N ' ' OG ' ' B' ' 46' ' ' SER . 23.6 t60 -55.8 -53.6 54.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.432 -177.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.51 ' C ' ' H ' ' B' ' 50' ' ' ASN . 30.5 tt0 -52.85 -61.11 2.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.167 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.52 7.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.422 -177.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.51 ' H ' ' C ' ' B' ' 48' ' ' GLN . 13.6 m-20 58.25 74.23 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.788 -0.365 . . . . 1.0 110.693 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tp -152.33 155.95 38.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.113 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.4 p -79.36 115.26 18.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.559 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.19 2.28 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.013 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 77.5 p -73.36 -38.28 65.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.31 -0.404 . . . . 1.0 111.082 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -105.14 -5.76 20.48 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.541 -0.3 . . . . 1.0 111.673 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' B' ' 57' ' ' SER . 8.6 p -60.71 -56.55 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.962 -177.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.466 ' N ' ' CG1' ' B' ' 56' ' ' VAL . 11.2 t -49.76 -52.76 29.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.721 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -56.65 -29.67 62.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.654 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.415 ' OE1' ' OD2' ' B' ' 25' ' ' ASP . 8.4 tp-100 -70.78 -50.78 32.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.123 -178.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 mt -59.38 -48.2 82.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.983 -0.287 . . . . 1.0 111.009 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -45.36 -42.94 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.885 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 tp -56.19 -62.45 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.201 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.406 ' N ' ' CD1' ' B' ' 63' ' ' LEU . 10.5 mp -47.62 -48.51 28.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.199 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -49.31 -29.56 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.254 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -80.81 -45.49 16.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 9.2 t -56.39 -13.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.439 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.466 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 15.6 t-80 78.94 18.55 0.86 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.143 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 30.6 mt -87.97 -73.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.773 0.32 . . . . 1.0 110.384 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -82.08 132.81 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.9 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -103.81 135.82 44.64 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.456 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.49 164.84 13.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.895 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -145.36 125.59 13.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.868 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.12 106.62 18.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.67 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -138.34 136.39 36.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.101 -0.499 . . . . 1.0 109.907 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.56 -157.46 1.53 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.488 -1.045 . . . . 1.0 110.488 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -64.15 -55.47 21.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.811 0.338 . . . . 1.0 110.54 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.436 ' C ' ' SD ' ' B' ' 78' ' ' MET . 22.7 t -72.29 -167.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.593 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.586 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -152.05 125.15 8.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 1.0 109.859 179.252 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 mt -98.33 129.03 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.0 -177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.41 146.52 23.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.369 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 38.9 p -155.16 132.44 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.821 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.82 124.29 33.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.174 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.66 -27.34 40.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.922 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.48 78.44 9.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.875 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.473 ' CD1' ' N ' ' B' ' 85' ' ' ILE . 2.1 mp -62.45 -26.61 40.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 1.0 109.913 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -46.92 -46.42 21.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.851 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.09 -39.06 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.808 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.16 91.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.744 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 45.7 p -74.63 -48.52 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.84 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 24.5 ttt -54.44 -28.92 47.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.389 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 31.0 tp -73.64 -37.74 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.374 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -61.96 -49.43 76.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.672 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -57.52 -31.69 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.881 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.64 66.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.674 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 73.4 mt -79.29 -11.67 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.666 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -73.66 -33.37 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.676 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -45.72 -36.14 4.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.728 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.06 77.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.663 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -87.62 74.59 9.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.565 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.413 ' N ' ' CD ' ' B' ' 101' ' ' PRO . 48.3 t60 -166.22 55.28 0.35 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.788 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' B' ' 100' ' ' HIS . 62.8 Cg_endo -70.85 -90.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.668 2.245 . . . . 1.0 111.95 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp 59.76 113.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.616 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.995 -1.002 . . . . 1.0 110.536 179.861 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.459 ' ND2' ' ND2' ' B' ' 27' ' ' ASN . 4.5 m120 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.3 m 46.82 -126.0 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.276 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -155.65 -35.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.87 0.367 . . . . 1.0 110.167 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -67.61 -58.51 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.4 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.58 -48.41 48.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.802 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' THR . 31.1 tt0 -45.15 -45.14 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.936 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -48.95 -21.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.034 0.445 . . . . 1.0 110.744 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.5 t -89.64 -23.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.483 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' GLU . 8.6 m -78.26 -17.36 56.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.105 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.78 -44.46 8.5 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.702 -0.227 . . . . 1.0 111.205 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 tt -57.59 -38.28 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.858 -0.337 . . . . 1.0 111.079 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -79.85 -38.48 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.152 -0.314 . . . . 1.0 110.152 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -67.52 -21.54 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 1.0 110.512 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.74 -51.04 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.664 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.5 mt -56.97 167.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.479 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.03 -8.68 0.06 OUTLIER Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.103 -0.799 . . . . 1.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -69.3 115.97 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 1.0 110.771 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.713 ' H ' HH21 ' A' ' 28' ' ' ARG . 45.6 t80 -88.53 -73.42 0.5 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.543 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -104.38 1.21 29.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.188 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.713 HH21 ' H ' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -80.87 -6.52 58.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.897 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.23 -44.78 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.08 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -40.33 -44.09 1.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.161 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.49 -51.68 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.398 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 ttt -53.51 -33.7 55.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.499 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.89 -51.88 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.417 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.31 -37.27 86.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -36.15 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 1.0 109.778 179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -66.84 -21.33 66.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.055 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -77.28 -36.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.957 -0.297 . . . . 1.0 110.949 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -171.27 -141.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.932 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -139.51 153.78 47.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.375 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.16 -177.41 5.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.504 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.42 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 6.4 p -71.98 173.95 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.095 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -81.65 -38.52 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.184 -178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.07 -49.94 5.37 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.534 -0.626 . . . . 1.0 111.534 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.424 ' HD1' ' N ' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -43.79 -37.32 2.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.692 0.282 . . . . 1.0 111.184 -178.344 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.41 -27.18 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.077 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 51' ' ' LEU . 48.4 t -73.94 -61.81 1.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.294 -177.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -61.67 -53.01 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.24 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -53.28 -46.19 69.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.91 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 tp -80.02 7.38 9.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.645 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.4 t30 58.68 58.33 3.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.762 0.315 . . . . 1.0 110.768 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.419 ' O ' ' OG ' ' A' ' 46' ' ' SER . 6.3 tp -141.24 158.62 43.65 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.209 -0.45 . . . . 1.0 109.932 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 54' ' ' SER . 55.3 p -80.19 118.02 21.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.627 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -64.17 1.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.981 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.488 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 5.0 m -85.59 -22.1 28.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.619 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 1.2 m-20 -90.82 -42.77 10.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.262 -178.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.484 ' CG2' ' H ' ' A' ' 57' ' ' SER . 31.3 m -50.85 -61.02 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.979 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.484 ' H ' ' CG2' ' A' ' 56' ' ' VAL . 54.9 p -41.88 -53.23 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.699 0.285 . . . . 1.0 111.281 -178.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 54' ' ' SER . 21.5 m80 -67.45 -28.33 67.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.635 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -67.02 -53.73 28.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.892 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.3 mt -50.01 -38.34 37.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.442 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -45.42 -50.37 12.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.602 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.05 -70.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.391 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.496 ' H ' ' CD1' ' A' ' 63' ' ' LEU . 9.9 mp -41.78 -62.1 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.964 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -48.3 -47.65 36.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.998 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 t -65.1 -36.94 85.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.236 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.475 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 61.5 t -77.44 -2.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.893 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.475 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 3.7 m80 77.85 22.55 0.85 Allowed 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.013 0.375 . . . . 1.0 112.013 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.1 mt -87.92 -15.29 37.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.571 0.224 . . . . 1.0 110.807 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.2 t -144.82 135.02 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.828 0.347 . . . . 1.0 110.591 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -107.98 129.1 55.14 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.372 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 -179.62 6.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.583 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -155.16 137.09 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.519 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -71.91 103.39 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.874 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -136.12 93.62 2.94 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.24 -151.56 42.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.5 ' CD ' ' H ' ' A' ' 76' ' ' GLN . 1.7 mp0 -62.29 -59.33 5.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 1.0 110.832 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.8 m -78.5 -167.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.564 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mmt -132.44 119.49 20.69 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 96.9 mt -79.1 119.86 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 1.0 110.509 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -82.3 129.3 34.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.79 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -145.16 145.5 31.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.483 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -82.41 -176.81 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.521 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -159.25 -45.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.45 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -74.55 88.21 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.637 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.5 mm -63.27 -17.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.576 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.598 ' H ' ' HD1' ' A' ' 86' ' ' HIS . 3.1 m80 -57.87 -52.24 66.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.72 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.87 -36.79 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.653 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.64 -34.51 72.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.615 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.7 m -74.3 -46.06 43.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.774 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 mmt -55.42 -28.84 56.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.936 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.55 -61.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 1.0 110.224 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -46.17 -49.4 16.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.667 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -47.58 -34.29 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.502 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.92 -45.22 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.634 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -79.76 -7.41 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.6 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.406 ' C ' ' N ' ' A' ' 98' ' ' ALA . 84.6 t60 -75.07 -53.02 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.67 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' ASN . 58.2 t-80 -46.97 -20.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.7 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 96' ' ' HIS . . . -45.64 -18.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.652 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' HIS . 4.9 m120 -83.33 125.43 31.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.475 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -77.89 151.3 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.263 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -70.9 -90.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 121.818 1.679 . . . . 1.0 111.894 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -155.74 -67.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.508 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.534 ' CD ' ' H ' ' A' ' 103' ' ' GLU . 1.4 pm0 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.517 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' B' ' 11' ' ' ASP . 8.9 t -159.72 -153.18 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.458 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.433 ' N ' ' OG1' ' B' ' 10' ' ' THR . 23.6 t70 -166.3 -35.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.626 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -61.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.013 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' B' ' 15' ' ' ARG . 11.1 tp -51.32 -54.95 21.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.172 -177.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -50.84 -11.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.871 -0.332 . . . . 1.0 111.05 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.443 ' H ' ' C ' ' B' ' 13' ' ' LEU . 56.6 ttm-85 -67.64 -57.74 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.793 -0.363 . . . . 1.0 110.403 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.512 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 12.6 m -64.96 -15.28 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.562 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.416 ' CG2' ' CE1' ' A' ' 26' ' ' TYR . 89.6 m -74.92 -26.25 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.332 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -78.66 -37.02 42.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.734 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 98.9 mt -56.46 -67.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.652 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.512 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 9.8 m-85 -50.29 -37.81 38.11 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.534 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -65.54 -36.56 84.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.756 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.58 -47.73 49.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.387 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.24 162.64 5.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.369 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.19 -23.08 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 15.7 p-10 -72.66 138.11 46.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 1.0 110.71 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -98.91 -73.34 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.082 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.459 ' ND2' ' ND2' ' A' ' 9' ' ' ASN . 48.6 m-20 -104.27 -4.27 23.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.085 178.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.495 ' N ' ' CD ' ' B' ' 28' ' ' ARG . 10.7 mpt_? -78.83 -8.44 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.284 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' B' ' 31' ' ' ILE . 17.1 tt -71.88 -29.59 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.415 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -40.57 -21.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.336 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' B' ' 29' ' ' ILE . 9.7 pt -70.24 -40.6 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.889 -0.324 . . . . 1.0 110.424 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' MET . . . . . 0.451 ' N ' ' O ' ' B' ' 29' ' ' ILE . 71.4 mmm -62.71 -26.24 68.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.49 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -68.43 -68.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.013 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -50.83 -31.05 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.749 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' B' ' 37' ' ' VAL . 0.2 OUTLIER -63.55 -32.01 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.107 0.479 . . . . 1.0 109.823 -179.568 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -49.76 -13.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' B' ' 38' ' ' SER . 1.7 p -172.11 86.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.38 0.609 . . . . 1.0 110.806 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' B' ' 37' ' ' VAL . 1.8 m 163.86 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.532 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -171.93 134.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -159.32 -178.36 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.665 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 45.0 m -79.13 -179.04 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.633 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.7 p -78.77 -35.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.494 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.63 -54.98 2.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.416 ' N ' ' HD1' ' B' ' 44' ' ' HIS . 0.7 OUTLIER -44.86 -57.55 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.334 . . . . 1.0 110.817 -179.564 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 tt -48.19 -28.65 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.788 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.9 t -77.41 -59.11 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.957 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -53.31 -50.45 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.043 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -53.14 -53.27 52.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.916 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 39.1 mt -79.34 9.48 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.295 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 56.8 64.77 1.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.761 0.315 . . . . 1.0 111.044 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.8 mt -141.61 156.14 45.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.139 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 37.9 m -81.51 123.56 28.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.654 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -48.19 -54.64 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.929 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.441 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 45.5 t -52.89 -34.93 57.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.203 -178.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -73.29 -65.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.092 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' B' ' 59' ' ' GLN . 6.3 p -50.82 -58.33 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.726 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.448 ' H ' ' CG1' ' B' ' 56' ' ' VAL . 28.6 t -41.76 -49.91 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 1.0 111.257 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' B' ' 54' ' ' SER . 1.9 m80 -65.62 -22.79 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.652 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' B' ' 56' ' ' VAL . 5.2 tt0 -74.26 -43.01 58.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.885 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.9 mt -55.47 -38.51 69.18 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.536 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -46.65 -52.75 13.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.45 -62.83 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.376 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.436 ' N ' ' CD2' ' B' ' 63' ' ' LEU . 4.0 mm? -47.3 -54.61 10.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.511 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' B' ' 66' ' ' VAL . 33.5 ttpt -65.1 -37.28 86.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.281 -177.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.4 p -72.85 8.37 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.23 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' B' ' 67' ' ' HIS . 82.2 t -124.88 -3.3 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.712 -0.222 . . . . 1.0 110.533 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' B' ' 66' ' ' VAL . 0.9 OUTLIER 85.77 19.62 0.1 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.348 176.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 35.3 mt -91.16 -13.49 32.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.626 0.25 . . . . 1.0 110.536 178.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 85.2 t -147.57 143.42 19.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.84 0.352 . . . . 1.0 110.601 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -124.19 111.06 15.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.157 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.81 155.24 19.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.078 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -141.69 163.38 33.06 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.913 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -139.02 127.55 23.08 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.059 0.457 . . . . 1.0 110.538 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -160.24 67.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.096 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.34 -61.72 0.41 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.578 -1.009 . . . . 1.0 110.578 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -164.42 -88.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 84.9 p -62.37 179.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.98 -0.378 . . . . 1.0 109.98 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.6 mpt? -111.08 111.3 22.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.805 0.336 . . . . 1.0 110.369 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 mm -82.86 103.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.737 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -68.9 146.9 52.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.598 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -153.95 138.82 17.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.704 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' B' ' 82' ' ' LEU . 2.9 mm? -81.06 94.44 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.179 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -71.98 -36.67 69.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.365 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.82 95.44 8.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.515 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.1 -16.45 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.777 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -56.13 -57.37 12.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.695 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.56 -40.69 87.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.859 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.41 83.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.671 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.7 m -74.74 -35.11 62.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 5.8 tpt -63.02 -27.31 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.613 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.7 tp -70.97 -49.9 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.433 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -59.54 -38.59 81.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.507 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.16 -32.67 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.715 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.3 -54.83 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.732 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.8 mt -70.1 -7.53 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.591 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -75.33 -67.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.602 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -87.61 -33.64 18.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.331 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 54.85 -92.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.682 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -162.46 65.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -168.68 66.26 0.66 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.828 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -45.27 162.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.649 2.233 . . . . 1.0 112.2 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -77.06 -151.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.641 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.565 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.0 m -127.1 -76.48 0.57 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.157 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -172.31 -58.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.75 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 13' ' ' LEU . 8.8 t -72.82 -45.68 57.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.027 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' N ' ' CG2' ' A' ' 12' ' ' THR . 10.7 tp -44.68 -56.02 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 1.0 110.871 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -48.82 -54.12 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.812 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -56.71 -37.31 70.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.799 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.9 t -68.76 -25.92 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.995 0.426 . . . . 1.0 110.408 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.9 m -72.77 -18.52 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.368 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -78.84 -37.88 39.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.473 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.6 mt -56.5 -62.07 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -56.21 -44.02 79.09 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -66.0 -15.22 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.777 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.54 -50.83 33.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 1.0 110.465 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' B' ' 20' ' ' PHE . 13.7 mt -44.0 145.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.87 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -158.01 125.67 1.58 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.516 -1.034 . . . . 1.0 110.516 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' GLY . 60.3 m-20 56.98 114.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 1.0 110.653 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -71.59 -13.92 61.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.745 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -76.56 -15.49 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.9 ttt-85 -76.69 -33.3 58.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.051 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -46.26 -51.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.713 0.292 . . . . 1.0 110.497 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -45.49 -37.46 5.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.922 0.392 . . . . 1.0 110.464 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' LEU . 20.8 mt -74.94 -60.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.377 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 ttm -41.17 -41.26 1.76 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.53 -38.43 89.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.274 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.1 tp -65.31 -37.48 87.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 37' ' ' VAL . 13.4 mt -66.28 -30.2 70.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.479 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -46.73 -21.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.469 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.421 ' N ' ' C ' ' A' ' 35' ' ' LEU . 3.4 p -177.06 88.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.088 178.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 34' ' ' LEU . 89.2 p -170.18 -64.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.986 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 38' ' ' SER . 57.4 mt-10 59.37 116.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.386 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.86 -177.38 6.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.673 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 25.9 t -70.96 171.87 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.446 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 t -79.85 -37.16 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.966 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 46' ' ' SER . . . -83.19 -64.42 1.65 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.269 -0.732 . . . . 1.0 111.269 -178.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -43.09 -55.3 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 1.0 111.151 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 41' ' ' SER . 18.9 tt -45.83 -27.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.774 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 43' ' ' GLY . 18.3 p -83.94 -38.58 20.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.109 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.1 -53.12 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.959 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.44 -39.93 92.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.827 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.0 tp -75.66 -9.07 58.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.183 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m120 68.84 64.6 0.3 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.507 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.2 mt -143.12 158.28 43.75 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.828 -0.434 . . . . 1.0 109.828 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.505 ' C ' ' H ' ' A' ' 54' ' ' SER . 92.1 p -79.52 114.48 18.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.564 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -58.85 -3.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.689 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.505 ' H ' ' C ' ' A' ' 52' ' ' SER . 11.9 t -77.29 -42.51 36.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.517 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -77.48 -37.54 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.492 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.6 t -44.26 -69.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.7 p -45.75 -34.62 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.958 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -78.57 -31.21 47.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.993 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.28 -57.48 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.745 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.21 -39.72 66.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.809 0.338 . . . . 1.0 110.599 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -42.59 -62.14 1.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.073 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 tp -44.93 -57.17 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.731 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 66' ' ' VAL . 9.6 mp -52.84 -49.28 66.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.431 -177.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -43.72 -36.45 2.23 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.93 -0.308 . . . . 1.0 111.11 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p -83.5 -17.91 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.131 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 90.7 t -76.31 -16.69 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.504 -0.316 . . . . 1.0 111.067 -178.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.468 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 4.1 m80 75.73 18.61 2.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.76 0.314 . . . . 1.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 tt -87.28 -73.34 0.48 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.445 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.9 m -78.78 152.13 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.226 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -130.72 122.58 27.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.938 -0.574 . . . . 1.0 109.889 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.76 171.19 10.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.023 0.439 . . . . 1.0 111.221 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -139.99 138.56 35.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.918 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.96 116.1 12.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.947 0.403 . . . . 1.0 110.488 -178.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -160.16 73.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.38 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.87 -66.72 0.35 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.459 -1.056 . . . . 1.0 110.459 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -169.56 -66.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 1.0 110.543 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 78' ' ' MET . 47.6 t -63.03 -167.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.485 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.443 ' N ' ' OG ' ' A' ' 77' ' ' SER . 27.4 mtp -141.6 98.09 3.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.318 -0.401 . . . . 1.0 109.945 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 79' ' ' ILE . 1.9 mp -84.66 101.01 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.552 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -66.18 156.0 35.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.343 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -163.81 135.78 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.005 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 8.1 mp -86.72 82.11 7.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.968 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.32 -17.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.713 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 82' ' ' LEU . 33.5 m-20 -88.71 149.38 23.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.563 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.6 pt -109.97 -27.51 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.579 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -53.69 -51.99 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.876 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 t -44.71 -45.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.871 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.6 -41.18 69.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.69 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 m -73.28 -48.84 31.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.727 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 mmt -36.75 -49.6 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 1.0 112.064 -177.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 91' ' ' LEU . 7.4 mp -75.64 -36.17 60.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 1.0 110.421 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -63.0 -62.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.852 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.436 ' OE1' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -52.25 -32.88 39.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.895 -178.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.436 ' N ' ' OE1' ' A' ' 93' ' ' GLN . . . -64.76 -57.26 9.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.647 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 74.1 mt -75.34 -6.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.655 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -69.02 -57.94 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.506 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -73.74 -38.47 64.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.675 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 57.92 17.37 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.766 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 53.06 95.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.631 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -76.61 150.75 82.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.12 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -38.12 152.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.024 1.816 . . . . 1.0 112.562 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -109.29 150.35 28.1 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.411 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.055 -0.974 . . . . 1.0 110.583 179.765 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' B' ' 9' ' ' ASN . 1.8 m-20 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.505 ' HG1' ' N ' ' B' ' 11' ' ' ASP . 22.7 p -62.61 -33.68 75.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.713 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.505 ' N ' ' HG1' ' B' ' 10' ' ' THR . 16.8 p-10 -58.32 -55.68 31.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.545 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.408 ' H ' ' CG ' ' B' ' 11' ' ' ASP . 20.9 p -63.15 -41.4 99.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.711 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.63 -44.52 96.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.617 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.58 -15.67 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.987 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -77.8 -55.95 4.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.356 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.22 -17.94 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 1.0 110.694 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.7 p -73.83 -33.82 64.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.237 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -66.39 -28.36 68.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.481 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mt -65.96 -58.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.807 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 43.9 m-85 -61.28 -44.44 97.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.012 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.506 ' NZ ' ' CB ' ' B' ' 21' ' ' LYS . 5.3 ttpm? -60.12 -14.57 17.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.008 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.19 -40.95 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.664 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -55.97 156.49 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.726 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.87 -110.11 0.33 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -72.68 137.99 46.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 1.0 110.712 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' ND2' ' B' ' 27' ' ' ASN . 18.5 p90 -59.93 -35.84 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.756 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.501 ' ND2' ' CE1' ' B' ' 26' ' ' TYR . 59.3 m-80 -46.6 -22.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 1.0 110.461 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.533 HH21 ' CG2' ' B' ' 31' ' ' ILE . 5.3 tpm_? -63.97 -36.52 84.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.448 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.33 -52.66 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.768 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -49.6 -36.54 24.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.006 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.533 ' CG2' HH21 ' B' ' 28' ' ' ARG . 95.1 mt -72.16 -72.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.147 -178.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 15.1 ptm -45.14 -29.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.87 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.22 -66.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 1.0 110.488 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.55 -30.45 60.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.737 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' B' ' 37' ' ' VAL . 0.2 OUTLIER -68.31 -37.41 80.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.217 0.532 . . . . 1.0 109.598 179.271 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.8 m -46.93 -21.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.257 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.409 ' N ' ' C ' ' B' ' 35' ' ' LEU . 9.9 t -151.19 64.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.939 177.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -174.51 -166.03 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.844 0.354 . . . . 1.0 110.731 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -179.4 129.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.014 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.38 -177.79 5.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 1.0 111.072 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 43.4 m -76.45 -179.6 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.376 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 m -83.48 -34.97 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.829 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.32 -62.23 1.5 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.101 -0.8 . . . . 1.0 111.101 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -44.65 -48.66 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 1.0 110.881 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 11.0 tt -53.14 -24.43 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.815 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.5 m -80.73 -54.04 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.894 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -44.58 -51.19 9.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.969 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -60.86 -46.0 92.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.028 -178.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 mt -78.72 -3.0 42.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.358 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.4 25.56 4.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.846 0.313 . . . . 1.0 111.846 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.02 141.23 29.06 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.533 ' C ' ' H ' ' B' ' 54' ' ' SER . 10.2 t -80.28 126.36 31.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.506 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.61 -2.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.306 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.533 ' H ' ' C ' ' B' ' 52' ' ' SER . 59.4 m -80.08 -46.63 16.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.899 0.381 . . . . 1.0 110.52 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -80.45 -33.47 36.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.825 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 59' ' ' GLN . 92.4 t -45.8 -73.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.699 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -41.15 -43.84 2.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.296 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -66.82 -29.89 69.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.572 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' B' ' 56' ' ' VAL . 6.8 tp-100 -63.73 -61.91 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.093 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.59 -44.51 65.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 1.0 110.955 -178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -43.92 -63.33 0.88 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.912 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -45.15 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.837 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' B' ' 66' ' ' VAL . 7.5 mp -47.33 -53.74 12.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.862 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -40.15 -42.99 1.56 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.749 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -78.41 -18.82 54.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.475 -0.33 . . . . 1.0 111.357 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' B' ' 67' ' ' HIS . 60.6 t -79.47 -12.68 13.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.996 -0.282 . . . . 1.0 111.327 -178.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' B' ' 66' ' ' VAL . 6.6 t60 87.29 22.02 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 122.636 0.374 . . . . 1.0 111.175 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 40.1 mt -89.61 -74.07 0.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.745 0.307 . . . . 1.0 110.735 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 20.2 t -83.18 146.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.905 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -117.29 129.14 55.71 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.918 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.72 160.49 17.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.698 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -147.34 140.04 24.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.115 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -132.24 117.51 18.32 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.585 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -155.75 76.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.912 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.66 -74.13 0.28 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.788 -1.325 . . . . 1.0 109.788 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -171.99 -50.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 1.0 110.216 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -62.42 -167.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.201 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 25.9 ttt -131.19 86.05 2.33 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.779 -0.452 . . . . 1.0 109.779 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 15.4 tt -85.52 102.31 11.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.824 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -93.09 165.07 13.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.072 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.6 p -154.6 152.97 30.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 84' ' ' ASP . 14.5 mt -68.89 -18.48 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.835 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 57.51 -79.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.569 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' B' ' 82' ' ' LEU . 0.7 OUTLIER -67.95 100.28 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 1.0 110.607 179.669 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.66 -15.13 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.543 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -56.0 -23.15 31.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.582 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.4 t -76.51 -25.05 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.575 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.81 -24.85 41.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.365 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.643 ' HG1' ' H ' ' B' ' 90' ' ' MET . 67.4 p -78.49 -53.93 6.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.877 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' MET . . . . . 0.643 ' H ' ' HG1' ' B' ' 89' ' ' THR . 0.0 OUTLIER -54.74 -26.47 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.566 -179.399 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 tp -75.12 -49.41 19.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.238 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -62.28 -42.62 99.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.489 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.503 HE21 ' NE2' ' B' ' 97' ' ' HIS . 20.4 tm0? -55.57 -30.72 61.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.277 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.11 -45.29 61.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.437 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -76.61 -11.08 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.312 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -73.4 -38.17 65.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.621 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' B' ' 99' ' ' ASN . 21.2 m170 -79.28 -45.29 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.511 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 55.27 -82.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.668 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' B' ' 97' ' ' HIS . 5.4 t-20 -172.51 178.51 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.623 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.443 ' H ' ' CG ' ' B' ' 99' ' ' ASN . 12.1 t-160 -172.44 74.06 0.45 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.509 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.11 136.18 14.37 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.634 2.223 . . . . 1.0 112.476 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 55.9 mttm 46.92 -102.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.68 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.033 -0.984 . . . . 1.0 110.558 -179.845 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.44 ' C ' ' H ' ' A' ' 11' ' ' ASP . 16.3 p30 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -78.02 38.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.463 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 9' ' ' ASN . 6.2 p-10 -161.82 -31.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.666 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.3 p -73.53 -59.45 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.8 mt -81.04 -12.61 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.529 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.91 -21.42 43.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.551 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -69.71 -62.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.761 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.0 m -61.75 -16.16 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.557 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.8 m -74.9 -39.94 61.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.485 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -62.34 -33.1 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.276 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.1 mt -61.55 -62.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.635 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -57.66 -44.33 85.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.682 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -59.36 -20.09 51.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.859 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.13 -42.79 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.663 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -51.9 156.3 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.518 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.3 -76.89 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.855 -0.898 . . . . 1.0 110.855 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -73.21 179.51 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 1.0 110.545 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.492 ' CG ' ' N ' ' A' ' 27' ' ' ASN . 27.6 p90 -99.77 -48.6 4.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.056 0.455 . . . . 1.0 109.995 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.633 ' ND2' HE21 ' A' ' 59' ' ' GLN . 13.6 p-10 -65.18 2.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 26' ' ' TYR . 56.2 ttt-85 -63.85 -29.04 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.576 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 31' ' ' ILE . 42.0 mt -77.17 -54.37 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.705 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -42.0 -19.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.218 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 29' ' ' ILE . 6.6 mm -76.27 -41.38 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' ILE . 46.2 mtt -70.24 -35.94 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.871 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.84 -33.52 76.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.934 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.1 tp -78.93 -39.67 34.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.761 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -62.31 -30.64 71.3 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.5 t -38.68 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.419 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' LEU . 4.0 p -176.27 82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.069 177.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -153.33 -77.72 0.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.267 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 61.69 108.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.949 -0.389 . . . . 1.0 109.949 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.01 -176.83 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.917 0.389 . . . . 1.0 110.926 -177.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -65.11 167.1 8.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.364 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.6 m -83.41 -35.96 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 1.0 111.042 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.99 -48.78 5.61 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.476 -0.65 . . . . 1.0 111.476 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -42.21 -52.89 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 1.0 111.13 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.5 pt -51.71 -26.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.775 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' GLY . 6.2 t -69.78 -73.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.977 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -57.89 -49.78 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.109 -178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.416 ' C ' ' H ' ' A' ' 50' ' ' ASN . 30.5 mm-40 -50.05 -56.87 9.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.144 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 50' ' ' ASN . 31.1 mt -78.42 20.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.178 -178.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 48' ' ' GLN . 1.0 OUTLIER 54.16 15.93 1.05 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.687 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.0 mt -88.59 149.92 23.32 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.994 -0.372 . . . . 1.0 109.994 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.545 ' C ' ' H ' ' A' ' 54' ' ' SER . 17.9 p -83.13 136.12 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.302 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -63.9 9.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.77 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.545 ' H ' ' C ' ' A' ' 52' ' ' SER . 37.8 p -74.83 -33.71 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.7 0.286 . . . . 1.0 111.023 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.535 ' C ' ' H ' ' A' ' 57' ' ' SER . 15.5 p-10 -83.68 -47.04 11.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.202 -178.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.7 m -54.1 -2.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.806 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.535 ' H ' ' C ' ' A' ' 55' ' ' ASN . 7.6 t -95.32 -60.52 1.65 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.945 0.403 . . . . 1.0 110.203 177.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.464 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 41.0 t-80 -79.07 -16.07 57.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.0 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.633 HE21 ' ND2' ' A' ' 27' ' ' ASN . 20.8 mm-40 -60.76 -70.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.144 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.68 -44.75 69.97 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.778 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -40.92 -65.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.356 . . . . 1.0 111.175 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 65' ' ' SER . 11.3 tp -51.47 -68.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.944 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 8.5 mp -41.1 -50.89 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.014 -177.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -57.84 -26.62 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.493 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 62' ' ' LEU . 7.5 t -80.59 -44.79 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.215 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.29 -2.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.618 -0.264 . . . . 1.0 110.923 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 68.93 14.52 8.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.328 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.3 mt -82.27 0.56 40.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.671 -0.24 . . . . 1.0 110.603 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -152.12 135.07 6.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.966 0.412 . . . . 1.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -98.77 119.84 38.2 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.216 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.73 172.95 8.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.68 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -149.9 132.56 15.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.318 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' A' ' 73' ' ' ARG . 8.7 mpt_? -91.46 114.08 26.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.506 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 77' ' ' SER . 32.1 tt0 -131.06 112.38 12.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.446 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.49 -148.97 48.87 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -68.63 -50.07 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 1.0 110.378 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 78' ' ' MET . 35.1 t -82.57 -167.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.904 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.477 ' N ' ' OG ' ' A' ' 77' ' ' SER . 17.4 ptt? -154.71 163.43 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.013 -0.366 . . . . 1.0 110.013 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.6 mt -133.1 123.4 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.894 0.378 . . . . 1.0 110.273 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -86.49 155.63 20.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.287 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.7 m -158.9 152.21 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.002 0.43 . . . . 1.0 111.051 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.7 mt -81.56 -39.9 23.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.687 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t70 70.44 -55.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.68 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -54.69 95.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.496 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 tp -62.83 -19.03 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.56 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -68.11 -61.71 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.65 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.4 t -46.65 -41.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.738 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.86 87.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.783 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -72.92 -49.84 27.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.658 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.0 mmt -44.77 -33.96 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.869 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -62.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.077 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -45.18 -53.65 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.784 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -46.34 -35.5 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.647 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.49 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.562 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.6 mm -75.35 -7.0 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.58 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.518 ' C ' ' H ' ' A' ' 98' ' ' ALA . 56.6 t-80 -88.67 -24.73 22.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.83 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -68.74 10.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.898 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 96' ' ' HIS . . . -70.46 62.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.66 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.481 HD21 ' ND1' ' A' ' 100' ' ' HIS . 6.9 p-10 -164.58 159.41 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.641 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.481 ' ND1' HD21 ' A' ' 99' ' ' ASN . 2.0 m80 54.87 59.94 10.36 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.593 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -76.22 -97.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.675 2.25 . . . . 1.0 111.826 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt 40.99 35.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.222 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.557 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -48.7 -67.43 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.683 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -169.01 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.742 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -57.31 -43.14 83.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.775 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tp -76.55 -33.71 58.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.602 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.413 ' O ' ' OG1' ' B' ' 17' ' ' THR . 39.7 tp10 -47.24 -44.31 22.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.06 -179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -68.15 -29.32 68.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.844 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.6 t -74.42 -25.35 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.893 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 68.1 p -74.13 -28.07 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.196 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.58 -39.18 88.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.476 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mm -53.7 -52.96 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -75.19 -44.35 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.914 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.71 -10.34 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.717 0.294 . . . . 1.0 110.776 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.29 -44.54 16.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.956 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.0 mt -48.6 153.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.768 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.65 -88.63 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.824 -0.91 . . . . 1.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 0.8 OUTLIER -81.16 109.23 15.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 1.0 110.688 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.523 ' C ' ' H ' ' B' ' 28' ' ' ARG . 17.2 p90 -47.49 -31.28 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.101 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.659 HD21 ' N ' ' B' ' 28' ' ' ARG . 0.0 OUTLIER -56.12 -5.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.771 -179.174 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.659 ' N ' HD21 ' B' ' 27' ' ' ASN . 8.9 ptm180 -65.53 -24.73 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.012 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.95 -55.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.742 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -43.15 -32.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.094 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' B' ' 34' ' ' LEU . 48.0 mt -66.14 -70.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.551 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 39.5 mtt -42.28 -30.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.282 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.05 -34.37 76.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.839 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' B' ' 31' ' ' ILE . 10.2 tp -77.46 -39.58 46.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.821 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' B' ' 35' ' ' LEU . 3.2 mm? -67.22 -38.07 84.65 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.903 -0.319 . . . . 1.0 110.443 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -42.1 -25.98 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.27 . . . . 1.0 111.264 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.9 68.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.562 0.696 . . . . 1.0 110.729 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' B' ' 34' ' ' LEU . 11.9 p -174.02 -171.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.431 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -177.93 127.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.266 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -177.91 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.815 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -69.57 170.94 9.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.407 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 t -80.03 -25.61 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.855 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -94.7 -47.07 2.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.431 -0.667 . . . . 1.0 111.431 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -41.43 -51.13 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.0 111.509 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.3 pt -55.4 -23.95 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.156 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 40.0 p -70.91 -69.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 1.0 111.144 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.526 ' N ' ' OG ' ' B' ' 46' ' ' SER . 42.0 t-80 -52.24 -49.94 63.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.012 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.527 ' C ' ' H ' ' B' ' 50' ' ' ASN . 43.0 tt0 -53.58 -66.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.127 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.445 ' C ' HD21 ' B' ' 50' ' ' ASN . 36.3 mt -65.13 7.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.208 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' B' ' 48' ' ' GLN . 1.8 m-80 59.0 59.54 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.769 0.318 . . . . 1.0 110.891 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.5 mt -133.63 152.31 51.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.831 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.5 ' C ' ' H ' ' B' ' 54' ' ' SER . 22.8 p -78.61 111.6 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.427 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -60.79 -0.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.707 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.5 ' H ' ' C ' ' B' ' 52' ' ' SER . 10.1 t -74.93 -41.1 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.455 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' B' ' 59' ' ' GLN . 7.3 m-20 -84.72 -38.06 20.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.669 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' B' ' 59' ' ' GLN . 87.6 t -44.01 -77.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.938 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.2 m -43.48 -44.24 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.067 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.422 ' N ' ' HD1' ' B' ' 58' ' ' HIS . 0.6 OUTLIER -68.73 -26.55 65.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.504 179.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' B' ' 55' ' ' ASN . 54.2 tp60 -71.58 -42.5 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.772 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.21 -40.79 86.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.634 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -47.98 -56.91 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.327 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.71 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.326 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.5 mt -36.58 -51.78 0.85 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.798 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -49.76 -48.39 50.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.845 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.425 ' C ' ' H ' ' B' ' 67' ' ' HIS . 14.3 t -62.18 -40.52 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.022 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.543 ' O ' ' CG ' ' B' ' 67' ' ' HIS . 3.1 t -75.68 13.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.578 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' B' ' 66' ' ' VAL . 3.2 p80 52.97 18.75 1.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.151 0.426 . . . . 1.0 112.151 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.9 mt -79.81 -14.17 58.88 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 97.5 t -152.48 148.82 14.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.111 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -128.39 128.59 44.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.823 0.344 . . . . 1.0 110.412 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.77 172.24 9.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.444 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -146.3 144.51 29.87 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.005 0.431 . . . . 1.0 110.545 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.3 ptt85 -139.62 103.86 4.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.696 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -145.89 88.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.58 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 96.24 103.47 2.06 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 -175.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.477 ' CD ' ' N ' ' B' ' 76' ' ' GLN . 1.7 pm0 -20.71 84.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.64 0.776 . . . . 1.0 113.066 -176.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.46 ' N ' ' O ' ' B' ' 75' ' ' GLY . 19.2 m -175.99 91.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.863 -0.792 . . . . 1.0 108.863 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -71.54 115.92 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.439 -174.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 12.4 pt -147.22 129.8 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.138 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -106.56 168.24 9.3 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.026 0.441 . . . . 1.0 111.467 -176.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 16.0 t -169.99 160.78 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.672 -0.694 . . . . 1.0 110.782 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 56.0 tp -91.15 91.36 8.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 1.0 109.978 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -69.87 -8.72 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.179 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 2.5 m-20 -75.64 100.4 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.787 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.18 -41.88 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.593 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -56.43 -69.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.831 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 32.9 t -45.27 -51.87 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.975 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.32 -57.03 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.167 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 29.9 p -70.91 -46.9 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.812 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 24.1 ttt -46.25 -31.67 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.736 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.6 tp -72.64 -51.21 20.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.212 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -59.74 -39.38 84.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.308 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -55.62 -29.64 59.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.389 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.48 -48.22 42.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.513 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 70.0 mt -78.71 -8.81 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.332 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.13 -38.53 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.491 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.501 ' C ' ' H ' ' B' ' 99' ' ' ASN . 28.3 m170 -74.59 -68.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.463 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 49.73 11.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.501 ' H ' ' C ' ' B' ' 97' ' ' HIS . 0.7 OUTLIER -78.51 116.5 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.757 -179.284 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.586 ' H ' ' CD ' ' B' ' 101' ' ' PRO . 18.1 t-80 -172.83 -37.83 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.909 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.586 ' CD ' ' H ' ' B' ' 100' ' ' HIS . 34.2 Cg_exo -61.36 155.88 49.47 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.672 1.581 . . . . 1.0 112.179 -177.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -81.34 148.36 29.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.568 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.051 -0.976 . . . . 1.0 110.628 179.839 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 m120 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.8 p 54.72 54.38 9.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.65 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.14 -9.31 15.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.577 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.1 m -82.19 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.761 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.43 -30.58 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.519 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -49.14 -58.46 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.884 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -64.76 -24.52 67.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.183 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -73.06 -25.3 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.984 0.421 . . . . 1.0 110.213 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.8 m -77.54 -22.86 50.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.034 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.41 -40.15 89.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.177 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.61 -59.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.35 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -57.29 -42.04 80.94 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.45 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -53.58 -24.19 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.444 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.83 55.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.481 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.1 mt -46.14 133.27 9.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.491 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.25 -10.17 0.05 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.239 -0.744 . . . . 1.0 111.239 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -168.45 109.52 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 1.0 110.612 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -50.46 -26.34 4.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.754 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.17 -11.11 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.611 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 29' ' ' ILE . 40.0 ptt85 -62.87 -42.06 99.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.65 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 28' ' ' ARG . 46.8 mm -54.37 -50.79 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.148 178.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -54.19 -49.87 68.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.586 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' LEU . 77.6 mt -64.37 -63.44 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.743 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.5 mtp -44.72 -31.41 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.966 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -68.84 -31.46 70.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.939 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' ILE . 34.9 tp -83.27 -43.65 15.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.721 -178.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.49 -19.46 64.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 1.0 110.699 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.7 t -70.6 -17.22 62.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.546 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.44 ' O ' ' CB ' ' A' ' 38' ' ' SER . 16.8 m -158.69 51.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.4 t 163.44 89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 1.0 110.089 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -74.73 151.49 39.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.674 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.18 -177.84 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.695 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 t -79.96 -173.17 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.387 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 17.5 m -82.75 -42.08 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.76 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.8 -45.71 7.09 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.101 -0.799 . . . . 1.0 111.101 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -45.53 -30.58 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.659 0.266 . . . . 1.0 110.817 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.2 mt -79.11 -25.29 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.934 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.457 ' HG ' ' CA ' ' A' ' 53' ' ' GLN . 11.0 t -70.84 -42.25 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.993 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -77.22 -49.12 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 1.0 111.212 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.514 ' C ' ' H ' ' A' ' 50' ' ' ASN . 6.7 mm100 -66.07 -56.5 11.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.1 -178.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' O ' ' OD1' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -70.53 11.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.223 -178.03 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 50' ' ' ASN . 6.2 p-10 45.02 72.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.194 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' O ' ' OG ' ' A' ' 46' ' ' SER . 75.8 mt -143.84 149.84 37.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.232 -0.655 . . . . 1.0 109.232 177.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.535 ' C ' ' H ' ' A' ' 54' ' ' SER . 14.6 t -77.78 122.61 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' CA ' ' HG ' ' A' ' 46' ' ' SER . 2.6 pp0? -55.69 -2.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.507 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.535 ' H ' ' C ' ' A' ' 52' ' ' SER . 26.7 t -74.95 -52.53 10.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 1.0 110.923 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.28 -28.08 42.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.058 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.01 -80.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.917 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 t -44.18 -48.91 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.06 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -56.33 -24.08 41.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.856 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -66.94 -52.16 46.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.91 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -50.73 -46.51 59.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.843 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -42.31 -72.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.021 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 48.6 tp -55.89 -73.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.462 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.0 tp -37.86 -50.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.892 -176.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -65.76 -48.81 70.59 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.867 -0.333 . . . . 1.0 111.137 -178.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.5 m -53.16 -19.29 2.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.213 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 67' ' ' HIS . 83.9 t -81.23 -8.1 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.046 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 18.6 t-80 82.59 16.83 0.35 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.646 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.9 tp -75.42 -88.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.409 . . . . 1.0 109.932 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.98 157.2 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 1.0 110.848 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -115.93 121.17 41.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.111 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.94 162.35 16.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.826 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -148.16 141.86 25.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.912 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 ptt85 -139.65 123.1 17.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.938 0.399 . . . . 1.0 110.611 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -160.5 97.51 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 100.28 102.39 2.48 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 44.07 -88.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.675 0.274 . . . . 1.0 111.236 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 75' ' ' GLY . 48.4 t -71.75 -167.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.659 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -153.04 144.5 23.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.771 179.662 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.415 HD13 HG22 ' A' ' 79' ' ' ILE . 95.6 mt -120.21 113.87 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 120.805 0.335 . . . . 1.0 110.363 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -98.07 144.06 27.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.5 p -158.06 179.63 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.203 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -171.15 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.163 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -158.5 -36.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.559 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.49 104.27 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 1.0 110.526 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.1 tp -75.24 -24.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.494 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -56.86 -62.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.809 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -55.95 -36.12 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.812 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.51 -47.25 76.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.777 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 49.2 p -75.62 -41.72 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.554 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.6 ttm -51.38 -33.21 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.544 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.0 tt -68.7 -59.7 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.065 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -48.9 -45.0 40.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.554 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -55.77 -25.39 40.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.585 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.73 -46.59 24.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.392 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.5 mm -65.32 -5.35 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.41 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -92.19 -55.67 3.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.604 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.413 ' C ' ' H ' ' A' ' 99' ' ' ASN . 0.4 OUTLIER -48.88 -43.93 39.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.906 -178.844 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.51 ' O ' ' CD2' ' A' ' 100' ' ' HIS . . . -61.0 -5.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.809 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.413 ' H ' ' C ' ' A' ' 97' ' ' HIS . 8.2 t30 -82.63 81.15 8.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.919 -179.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 14.6 m-70 -77.24 -35.61 1.38 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.825 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 43.5 Cg_endo -90.94 171.71 3.19 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.125 1.884 . . . . 1.0 112.368 -178.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -62.82 165.32 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.511 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.103 -0.951 . . . . 1.0 110.588 179.747 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.6 p -76.03 166.33 23.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.619 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.94 -13.5 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.658 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' B' ' 13' ' ' LEU . 29.8 p -70.0 -61.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.735 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.409 ' N ' ' OG1' ' B' ' 12' ' ' THR . 3.2 tt -46.58 -53.43 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.259 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' THR . 65.1 mt-10 -45.11 -54.08 7.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.966 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -46.25 -41.55 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.743 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 t -65.36 -23.45 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.603 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.442 ' N ' ' O ' ' B' ' 14' ' ' GLU . 7.1 m -72.15 -23.27 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.416 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.21 -33.3 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.473 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.61 -42.26 80.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.459 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -75.97 -39.26 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.594 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -58.25 -23.59 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -53.66 55.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.655 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 mt -39.2 123.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.404 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.18 -122.95 1.18 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -81.62 -135.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 1.0 110.601 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.491 ' C ' ' H ' ' B' ' 28' ' ' ARG . 52.8 m-85 -100.05 -50.74 3.89 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 1.0 110.141 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -65.38 3.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.768 -0.651 . . . . 1.0 111.043 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.516 ' HE ' ' C ' ' B' ' 28' ' ' ARG . 1.9 tmm_? -60.97 -59.03 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 1.0 110.037 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.513 ' N ' ' HE ' ' B' ' 28' ' ' ARG . 8.6 tp -53.84 -48.59 61.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.325 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.425 ' N ' ' CG2' ' B' ' 29' ' ' ILE . 90.1 mtt180 -41.11 -45.33 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.181 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.09 -54.0 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.406 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 2.5 tpt -44.31 -29.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.892 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.68 -66.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.618 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.53 -33.33 63.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.083 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' B' ' 37' ' ' VAL . 37.6 tp -64.2 -25.58 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 60.7 p -47.23 -18.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.331 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' B' ' 35' ' ' LEU . 3.5 p -177.11 82.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.324 0.583 . . . . 1.0 110.16 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 90.0 p -169.61 49.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.056 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -47.97 126.85 11.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.329 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -178.49 6.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.652 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.1 t -69.37 163.08 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.504 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.9 -38.89 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.376 -177.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -83.85 -60.94 1.9 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.665 -0.574 . . . . 1.0 111.665 -177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -40.7 -55.66 2.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 1.0 111.349 -177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 tt -46.43 -29.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.596 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 14.5 p -75.62 -61.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.191 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.491 ' N ' ' OG ' ' B' ' 46' ' ' SER . 27.2 m80 -50.7 -53.66 29.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.063 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -52.18 -57.39 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.043 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 mt -73.99 8.68 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.021 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 m120 58.41 70.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 1.0 111.168 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 63.9 mt -136.94 145.62 44.46 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.809 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.526 ' C ' ' H ' ' B' ' 54' ' ' SER . 32.3 t -81.62 123.71 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.563 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -62.64 3.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.147 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.526 ' H ' ' C ' ' B' ' 52' ' ' SER . 18.4 m -80.53 -49.6 11.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 1.0 110.455 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' B' ' 59' ' ' GLN . 43.1 t30 -84.92 -44.62 13.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.916 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 59' ' ' GLN . 93.3 t -41.53 -80.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.31 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -41.75 -45.36 3.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.237 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -68.74 -23.33 64.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.592 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' B' ' 56' ' ' VAL . 32.8 tt0 -71.87 -44.58 63.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.82 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.18 -42.98 96.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 1.0 110.51 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.426 ' O ' ' OG ' ' B' ' 65' ' ' SER . 19.9 tptp -47.0 -49.07 21.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.352 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' B' ' 65' ' ' SER . 2.0 tt -54.8 -72.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 1.0 109.899 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 mt -40.15 -51.47 2.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.242 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -60.07 -27.03 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.189 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.444 ' N ' ' O ' ' B' ' 62' ' ' LEU . 15.9 m -76.34 -24.46 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.977 -0.289 . . . . 1.0 111.031 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' B' ' 67' ' ' HIS . 2.4 t -77.87 9.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.696 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' B' ' 66' ' ' VAL . 9.1 p-80 58.29 15.13 3.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.651 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 70.1 mt -86.27 -68.87 0.71 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.867 0.365 . . . . 1.0 110.084 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 t -86.1 145.51 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.876 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -122.91 -175.1 3.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.052 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.15 129.82 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.786 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -89.6 136.28 33.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.571 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -79.15 114.09 17.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.572 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -132.78 102.12 5.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.33 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.12 -148.1 48.52 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.873 . . . . 1.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -60.83 -61.05 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 1.0 110.544 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.445 ' C ' ' SD ' ' B' ' 78' ' ' MET . 20.6 t -78.2 -174.96 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.787 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.567 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.7 mpt? -143.07 132.7 23.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.133 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 15.4 mm -88.15 118.01 32.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.944 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -76.41 153.1 35.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.199 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.2 t -169.81 158.39 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 1.0 110.769 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -76.23 -153.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.652 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -158.5 -49.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.11 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -81.6 96.45 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.125 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.42 ' CD1' ' C ' ' B' ' 85' ' ' ILE . 2.3 pp -69.51 -2.5 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.685 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -79.07 -33.64 44.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.307 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 63.6 t -71.82 -40.75 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.589 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.57 -46.6 80.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.392 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 39.9 p -70.21 -43.67 70.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.52 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 27.1 ttt -52.5 -28.29 19.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.552 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 tt -73.93 -59.3 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 1.0 109.958 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -53.65 -33.61 55.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.245 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -61.83 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.278 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.69 -48.67 30.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.514 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 87.0 mt -76.14 -8.52 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.555 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -82.29 -36.37 27.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.597 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -78.62 -35.98 44.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.637 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.21 91.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.518 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -77.3 -170.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.78 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 59.08 66.98 2.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.786 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -45.49 155.48 0.45 Allowed 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.732 2.288 . . . . 1.0 112.247 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -160.87 -79.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.61 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.592 179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.9 p -66.03 -145.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.507 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -159.84 0.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -87.48 -59.56 2.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.452 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.6 mt -79.08 -30.6 44.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.438 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 17' ' ' THR . 10.5 tp10 -50.57 -43.89 56.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.778 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -67.46 -36.86 82.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 1.0 110.569 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.2 t -68.49 -23.99 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.015 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 41.3 p -82.13 -17.43 46.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.509 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -79.38 -32.93 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.62 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.87 -60.38 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.752 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' CD1' ' B' ' 23' ' ' LEU . 64.2 m-85 -58.03 -42.27 84.99 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.842 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -58.81 -32.94 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.698 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.93 97.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.898 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp -37.38 118.53 0.64 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.457 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.03 -139.0 7.99 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.057 -0.817 . . . . 1.0 111.057 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -78.67 147.64 33.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 1.0 110.714 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.503 ' C ' ' H ' ' A' ' 28' ' ' ARG . 9.1 m-85 -45.3 -38.21 5.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.883 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -49.61 -11.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.503 ' H ' ' C ' ' A' ' 26' ' ' TYR . 62.2 ttt180 -64.77 -52.34 57.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.787 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.5 mt -50.63 -56.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.774 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.9 mtp-105 -45.16 -66.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.891 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.63 -54.54 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.668 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 32' ' ' MET . 1.6 tmt? -49.18 -34.26 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.85 -179.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.72 -67.77 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.056 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.08 -32.54 73.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.731 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.96 -17.38 61.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.43 . . . . 1.0 110.273 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.9 p -80.38 -14.02 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.591 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.9 t -157.36 89.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 1.0 109.756 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 39' ' ' GLU . 4.2 t 179.84 -53.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.28 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' SER . 14.1 mm-40 56.16 107.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 1.0 110.123 -177.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.11 -177.01 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.834 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -69.71 169.46 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.516 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.4 m -80.94 -34.83 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.91 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.36 -58.88 2.11 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.235 -0.746 . . . . 1.0 111.235 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -44.07 -53.99 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 1.0 110.968 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 tt -47.74 -29.08 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.685 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -76.25 -62.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.152 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -56.82 -49.9 74.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.122 -178.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -47.54 -50.35 23.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.877 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.2 17.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.051 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 55.01 76.83 0.24 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 1.0 110.561 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.1 tp -155.46 156.52 35.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.282 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -78.58 113.18 16.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.606 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.53 ' C ' ' H ' ' A' ' 55' ' ' ASN . 22.7 tt0 -48.67 -51.1 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.983 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 p -50.28 -9.16 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.036 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.53 ' H ' ' C ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -81.31 -59.73 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.447 -178.081 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.481 ' CG2' ' N ' ' A' ' 57' ' ' SER . 3.1 m -51.4 -48.63 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.978 -176.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.481 ' N ' ' CG2' ' A' ' 56' ' ' VAL . 58.5 m -42.86 -42.13 3.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.359 . . . . 1.0 111.07 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.728 ' HD1' ' HZ1' ' A' ' 61' ' ' LYS . 1.5 t60 -78.91 -31.25 45.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.643 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -69.36 -54.32 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.175 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -56.64 -46.48 80.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.075 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.728 ' HZ1' ' HD1' ' A' ' 58' ' ' HIS . 7.7 ttpm? -42.02 -61.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.355 -177.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.4 tp -51.7 -70.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.688 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.9 mp -42.49 -53.71 4.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.811 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -44.3 -44.05 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.836 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 14.3 t -69.75 -18.9 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.401 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 25.5 t -80.29 -7.04 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.952 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 65' ' ' SER . 1.3 m170 78.6 18.74 0.96 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.39 178.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.9 mt -81.36 -81.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 1.0 110.269 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.1 m -77.14 154.62 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.601 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -127.72 128.01 44.65 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.214 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.9 127.01 35.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.958 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -96.08 137.8 34.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.293 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -80.63 105.32 11.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.669 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' SER . 61.0 mt-30 -139.98 125.25 18.85 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.963 0.411 . . . . 1.0 110.985 -178.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 33.52 98.57 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 CA-C-N 115.47 -0.787 . . . . 1.0 112.384 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 52.8 -83.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.673 0.273 . . . . 1.0 111.12 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 75' ' ' GLY . 35.9 p -63.75 -177.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.69 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 77' ' ' SER . 9.9 mmt -128.46 114.19 16.48 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 109.933 -0.395 . . . . 1.0 109.933 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.0 mt -79.06 115.13 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.332 . . . . 1.0 110.706 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -72.96 147.54 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.651 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -160.69 147.03 15.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.716 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -84.99 129.06 34.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.5 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -81.7 -55.3 4.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.585 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' C ' ' H ' ' A' ' 86' ' ' HIS . 37.4 p-10 -81.49 97.85 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.537 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 pt -78.56 15.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.66 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.435 ' N ' ' HD1' ' A' ' 86' ' ' HIS . 0.3 OUTLIER -78.99 -59.77 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.76 -179.49 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 m -53.41 -27.25 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.53 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.11 99.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.74 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 58.9 p -76.66 -23.51 53.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.915 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 61.8 mmm -75.6 -29.09 59.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.668 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.5 tp -73.56 -47.51 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -52.6 -59.49 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.906 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -47.78 -27.72 2.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.741 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.04 75.43 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.527 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.0 mm -76.71 -7.46 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.776 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -83.87 -61.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 1.0 110.631 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -53.84 -56.47 17.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.755 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.44 58.1 4.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.492 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.52 ' N ' HD21 ' A' ' 99' ' ' ASN . 0.0 OUTLIER -65.98 -131.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.603 -179.161 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 58.81 58.66 5.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.726 0.298 . . . . 1.0 110.584 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.9 169.9 21.24 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.726 2.284 . . . . 1.0 111.99 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -55.78 -57.72 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.673 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 36.3 t30 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.504 ' C ' ' H ' ' B' ' 12' ' ' THR . 60.5 m -159.07 -59.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.523 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.9 6.14 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.587 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.504 ' H ' ' C ' ' B' ' 10' ' ' THR . 22.1 p -69.94 -60.38 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.023 -178.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.8 mt -77.88 -22.32 49.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.12 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -58.54 -37.69 76.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 1.0 111.074 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ttm105 -58.03 -58.22 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 1.0 110.937 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 m -64.76 -15.72 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.866 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -80.87 -27.12 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.059 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -72.24 -35.62 68.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.084 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 pt -68.49 -40.66 82.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.448 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -61.71 -42.2 98.62 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.229 -0.588 . . . . 1.0 110.47 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -61.74 -22.33 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.826 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.58 92.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.676 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 16.5 mt -50.86 146.26 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.543 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.2 -104.77 0.33 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.59 -1.004 . . . . 1.0 110.59 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -77.73 130.2 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 1.0 110.473 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' B' ' 28' ' ' ARG . 40.0 p90 -57.33 -33.83 68.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.777 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -46.45 -15.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.73 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' B' ' 26' ' ' TYR . 16.5 mtp180 -63.02 -37.04 85.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.609 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.4 -51.71 64.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.813 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -47.48 -53.43 14.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.131 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 pt -68.9 -41.65 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.175 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.0 mtt -57.55 -36.28 71.42 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.951 -0.3 . . . . 1.0 110.605 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -70.56 -26.72 63.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.885 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' B' ' 38' ' ' SER . 9.7 tp -80.16 -42.5 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.224 -178.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.07 -17.5 61.41 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.687 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 29.7 t -73.08 -18.68 61.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 1.0 110.347 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 t -148.3 56.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.184 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' B' ' 34' ' ' LEU . 11.7 p -174.19 178.81 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.386 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -157.44 121.56 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.071 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.97 -177.71 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -76.92 -173.27 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.547 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 13.5 p -92.78 -41.87 12.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.225 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.419 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -86.78 -21.36 50.89 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.511 -0.636 . . . . 1.0 111.511 -177.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -73.95 -40.38 63.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.724 0.297 . . . . 1.0 110.834 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 pt -69.25 -21.05 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.892 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 27.7 p -78.17 -42.83 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.052 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.46 -52.09 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.95 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -54.83 -49.93 69.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.004 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 34.6 mt -75.84 8.31 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 1.0 111.167 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 62.05 67.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.745 0.307 . . . . 1.0 110.962 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' B' ' 46' ' ' SER . 56.3 mt -136.48 144.94 44.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.876 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.501 ' C ' ' H ' ' B' ' 54' ' ' SER . 30.9 t -78.48 117.96 20.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.617 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -57.65 -3.79 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.058 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.501 ' H ' ' C ' ' B' ' 52' ' ' SER . 13.5 m -86.04 -24.02 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.565 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -92.05 -40.02 11.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.142 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.492 ' CG1' ' H ' ' B' ' 57' ' ' SER . 13.6 p -45.92 -55.95 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.832 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.492 ' H ' ' CG1' ' B' ' 56' ' ' VAL . 8.8 t -42.91 -40.59 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.779 0.323 . . . . 1.0 110.982 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.516 ' N ' ' HD1' ' B' ' 58' ' ' HIS . 1.4 m-70 -74.65 -32.53 62.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.358 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.517 ' O ' ' NE2' ' B' ' 59' ' ' GLN . 0.0 OUTLIER -59.65 -71.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.252 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 63' ' ' LEU . 12.4 mt -43.08 -58.59 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.228 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -37.22 -67.96 0.16 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.825 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp -59.6 -20.16 53.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.696 -178.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' B' ' 60' ' ' LEU . 0.2 OUTLIER -82.63 -46.47 13.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.659 -177.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' B' ' 66' ' ' VAL . 61.2 tttm -86.1 -26.43 25.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.081 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -66.05 6.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.763 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.502 ' H ' ' C ' ' B' ' 64' ' ' LYS . 46.6 t -114.53 -1.87 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.477 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.459 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 6.1 m-70 78.13 19.62 1.03 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.992 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 60.3 mt -80.92 -85.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.825 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 m -76.17 161.1 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.17 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -132.2 -163.47 1.34 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.694 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.2 -171.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 1.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -147.5 143.12 27.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.905 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -80.56 116.85 20.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.061 0.458 . . . . 1.0 110.666 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -128.73 91.43 3.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.676 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.24 -141.06 33.45 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -74.35 -37.96 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 1.0 110.661 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 55.2 p -80.21 -172.86 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.671 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 40.3 mtp -147.39 113.24 5.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.102 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.6 mt -85.04 110.04 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.727 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.418 ' O ' ' OG ' ' B' ' 81' ' ' SER . 75.2 m-85 -78.81 154.4 29.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.615 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' B' ' 80' ' ' TYR . 5.7 m -166.61 150.04 7.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.896 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' B' ' 82' ' ' LEU . 7.5 mp -82.39 113.98 20.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.972 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' B' ' 84' ' ' ASP . 7.2 p-10 -78.41 -64.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.713 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.493 ' H ' ' CG ' ' B' ' 83' ' ' ASP . 39.6 p-10 -68.43 99.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.754 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 pt -81.09 9.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.086 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -64.57 -54.46 31.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.801 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.37 -20.14 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.824 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.59 96.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.456 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 47.2 p -73.85 -41.69 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.389 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.8 mmt -58.27 -25.94 62.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.456 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.11 -43.39 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.424 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -65.01 -58.31 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.606 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -45.72 -36.78 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.761 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.16 -54.11 14.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.725 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.404 HG21 HD11 ' B' ' 95' ' ' ILE . 72.4 mt -68.03 -5.44 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.681 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -77.01 -59.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.634 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' B' ' 99' ' ' ASN . 26.5 t-80 -80.86 -32.46 34.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.404 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 54.78 -82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.597 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.531 ' CG ' ' H ' ' B' ' 100' ' ' HIS . 5.4 t-20 -172.72 -162.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.344 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.531 ' H ' ' CG ' ' B' ' 99' ' ' ASN . 0.0 OUTLIER -176.32 66.12 0.23 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.163 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.07 -27.94 4.18 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.587 2.191 . . . . 1.0 112.505 -177.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -78.58 112.29 15.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.932 -1.032 . . . . 1.0 110.554 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.617 ' N ' HD21 ' A' ' 9' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.8 p -84.32 -170.87 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.504 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -159.71 -29.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.771 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -103.97 -44.09 5.11 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.591 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.3 mt -79.1 -9.89 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.88 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' O ' ' OG1' ' A' ' 17' ' ' THR . 22.0 pt-20 -56.22 -14.97 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.541 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -81.92 -61.62 1.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.005 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.13 -17.51 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.538 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 24.3 p -75.92 -50.09 15.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.476 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -50.94 -19.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.425 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 mt -81.1 -62.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.119 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -57.91 -44.41 86.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.277 -177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -57.19 -49.12 76.99 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.655 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' C ' ' H ' ' A' ' 24' ' ' GLY . . . -47.89 -39.79 19.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 1.0 110.403 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 25' ' ' ASP . 4.5 tp -63.44 9.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 1.0 111.625 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' A' ' 22' ' ' ALA . . . -64.15 68.34 0.05 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' LEU . 12.2 t0 -177.63 159.3 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.77 -0.455 . . . . 1.0 109.77 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.5 ' C ' ' H ' ' A' ' 28' ' ' ARG . 11.6 m-85 -99.68 -52.36 3.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.007 0.432 . . . . 1.0 110.179 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -64.75 3.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.074 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' H ' ' C ' ' A' ' 26' ' ' TYR . 1.2 tmm_? -53.98 -57.64 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.178 -0.305 . . . . 1.0 110.178 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 29' ' ' ILE . 80.1 mt -65.68 -36.33 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.894 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -51.17 -60.11 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.801 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mm -49.7 -32.76 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.695 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.7 mmt -79.18 -17.57 54.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.087 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -73.68 -35.17 65.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.134 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.5 tp -91.38 -37.43 13.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.757 -178.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 38' ' ' SER . 2.9 tt -67.65 -61.37 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.393 . . . . 1.0 110.475 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 t -43.79 -23.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.07 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.72 -32.2 14.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.078 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 39' ' ' GLU . 21.4 p -164.33 -139.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.688 -0.405 . . . . 1.0 111.122 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' N ' ' OG ' ' A' ' 38' ' ' SER . 6.8 tp10 -149.94 148.5 29.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.175 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.39 -177.37 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.486 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.523 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 6.7 p -74.91 176.53 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.209 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -78.44 -40.39 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.027 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.48 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -82.23 -41.89 9.03 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 20.8 m170 -45.35 -30.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 1.0 110.788 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.6 mt -79.72 -25.68 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.751 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.686 ' HG ' ' H ' ' A' ' 47' ' ' HIS . 47.6 p -67.85 -52.31 38.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.052 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.686 ' H ' ' HG ' ' A' ' 46' ' ' SER . 12.0 m-70 -74.73 -49.62 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.138 -177.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.438 ' C ' ' H ' ' A' ' 50' ' ' ASN . 97.3 mt-30 -58.42 -60.6 3.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.865 0.364 . . . . 1.0 111.056 -178.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.68 2.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.303 -177.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' A' ' 48' ' ' GLN . 14.1 m120 57.94 77.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.556 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 tp -157.97 157.83 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.224 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.6 m -79.24 113.16 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.715 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -52.46 -49.06 65.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.007 0.432 . . . . 1.0 110.684 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -39.52 -34.84 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.271 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -84.05 -43.84 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.479 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.1 t -42.47 -68.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.017 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 t -45.59 -38.57 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.847 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -71.82 -30.19 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.059 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -70.59 -49.12 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.551 -0.295 . . . . 1.0 111.079 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 mt -53.0 -53.53 48.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 1.0 110.999 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -40.12 -54.65 2.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.431 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.421 ' O ' ' OG ' ' A' ' 65' ' ' SER . 10.9 tp -50.71 -55.51 16.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.681 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 7.5 mp -63.06 -57.66 9.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.648 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -46.16 -20.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.998 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 62' ' ' LEU . 12.1 p -81.25 -53.52 6.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.047 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.408 ' N ' ' OG ' ' A' ' 65' ' ' SER . 4.3 m -78.59 22.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.422 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 69.0 t60 61.59 19.73 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.851 0.686 . . . . 1.0 112.851 174.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.7 mt -75.44 -20.04 59.1 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.338 -0.545 . . . . 1.0 110.285 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -150.48 145.55 16.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.198 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 81' ' ' SER . 55.4 tttp -121.44 107.98 13.11 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.269 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.77 134.14 34.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.771 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.77 133.08 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.31 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -114.67 89.21 3.04 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.207 -0.452 . . . . 1.0 109.884 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -104.53 123.02 46.77 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.978 0.418 . . . . 1.0 110.282 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.44 -119.93 17.37 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.314 -0.714 . . . . 1.0 111.314 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -102.34 -35.03 8.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.784 0.326 . . . . 1.0 110.743 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 p -67.35 167.29 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.554 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.0 ptm -151.39 136.59 17.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.398 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.1 mt -142.33 126.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.303 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.424 ' O ' ' OE2' ' A' ' 39' ' ' GLU . 57.9 m-85 -77.29 133.55 38.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 1.0 110.825 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 70' ' ' LYS . 37.9 p -140.54 133.05 28.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.654 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 tp -82.22 102.28 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.089 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 85' ' ' ILE . 8.7 t70 -72.1 -51.62 20.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.58 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.86 83.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.662 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' ASP . 9.8 tp -73.89 -24.88 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.466 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' THR . 16.2 t-80 -67.76 -54.94 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.655 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.6 t -47.49 -22.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.409 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.75 -30.16 45.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' HIS . 42.9 m -75.84 -46.11 32.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.609 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.4 mtm -62.56 -24.07 67.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.674 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.4 -43.53 63.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.608 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.85 -63.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.734 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -45.63 -38.75 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.779 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.52 ' O ' ' CE1' ' A' ' 97' ' ' HIS . . . -63.7 -50.96 67.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.671 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 71.1 mt -78.91 -9.28 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.719 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -77.42 -24.01 50.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.798 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.649 ' HD1' ' N ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -65.97 -3.83 5.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.712 -179.71 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.649 ' N ' ' HD1' ' A' ' 97' ' ' HIS . . . -74.59 41.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.676 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 97' ' ' HIS . 1.1 t-20 -152.73 -43.26 0.1 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.674 -179.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 101' ' ' PRO . 62.1 t-80 57.57 73.94 0.71 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.735 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 100' ' ' HIS . 93.0 Cg_exo -45.93 179.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.787 2.325 . . . . 1.0 112.49 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -160.95 150.86 17.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.533 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.978 -1.011 . . . . 1.0 110.546 -179.87 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.495 HD21 ' CD1' ' B' ' 13' ' ' LEU . 18.2 t30 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.3 m -73.6 64.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.473 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -154.41 -65.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -57.61 -41.02 80.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.186 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.495 ' CD1' HD21 ' B' ' 9' ' ' ASN . 34.6 mt -68.47 -35.77 78.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.188 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -64.61 -27.88 69.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.961 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -68.43 -59.28 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 1.0 110.614 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.413 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 18.5 m -57.84 -10.52 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.59 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -82.06 -28.39 32.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.292 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -63.88 -41.86 97.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.9 -40.13 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.05 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 55.7 m-85 -75.46 -41.73 54.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.331 -0.548 . . . . 1.0 110.27 178.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -59.38 -28.5 66.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.336 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.18 95.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.514 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.0 mt -58.52 159.46 6.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.217 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.495 ' N ' ' NH1' ' B' ' 28' ' ' ARG . . . -179.93 -95.93 0.1 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.477 ' C ' ' H ' ' B' ' 27' ' ' ASN . 11.1 m-20 -52.5 102.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 1.0 110.786 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -46.29 -14.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.107 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' B' ' 25' ' ' ASP . 2.3 m-20 -70.65 -7.62 45.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 1.0 110.583 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.495 ' NH1' ' N ' ' B' ' 24' ' ' GLY . 94.2 mtt180 -76.7 -16.5 59.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.68 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mm -79.12 -69.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -41.96 -53.07 3.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.235 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' B' ' 32' ' ' MET . 13.6 tt -56.79 -49.57 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.74 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' MET . . . . . 0.449 ' N ' ' CG2' ' B' ' 31' ' ' ILE . 26.8 ttt -47.31 -36.1 8.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.303 . . . . 1.0 110.762 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -65.87 -27.8 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.444 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.51 -39.41 74.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' B' ' 37' ' ' VAL . 3.5 mm? -54.95 -32.93 61.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 1.0 109.879 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 81.6 p -40.58 -21.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.905 0.383 . . . . 1.0 111.083 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' B' ' 35' ' ' LEU . 27.3 t -94.75 -56.32 5.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.048 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.418 ' HG ' ' CB ' ' B' ' 81' ' ' SER . 3.8 t 68.56 71.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.843 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -172.99 64.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.711 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.04 159.69 26.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.727 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.4 p -71.58 167.5 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.277 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.72 -40.41 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.24 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -80.97 -48.03 6.29 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.468 -0.653 . . . . 1.0 111.468 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -43.52 -39.59 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 1.0 111.126 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.468 ' O ' ' CD2' ' B' ' 49' ' ' LEU . 83.0 mt -64.61 -28.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.082 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 43' ' ' GLY . 5.3 m -65.27 -42.1 93.57 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.006 -0.277 . . . . 1.0 111.373 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.93 -43.1 11.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.283 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -35.75 -68.65 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.448 0.536 . . . . 1.0 112.448 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.526 ' H ' ' CD2' ' B' ' 49' ' ' LEU . 0.8 OUTLIER -93.96 23.85 4.63 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.646 0.239 . . . . 1.0 111.646 -176.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.47 94.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 1.0 110.797 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -159.14 142.05 14.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.451 ' HG ' ' H ' ' B' ' 54' ' ' SER . 10.1 t -75.39 114.48 13.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 1.0 110.603 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -5.45 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.387 . . . . 1.0 111.131 -178.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.451 ' H ' ' HG ' ' B' ' 52' ' ' SER . 64.7 m -85.71 -19.0 31.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.631 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.442 HD21 ' CB ' ' B' ' 52' ' ' SER . 10.1 m-80 -105.28 -18.98 13.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.306 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' B' ' 57' ' ' SER . 8.8 p -71.43 -53.64 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.351 -0.54 . . . . 1.0 110.959 -177.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.479 ' N ' ' CG1' ' B' ' 56' ' ' VAL . 95.5 p -41.3 -55.29 2.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 1.0 111.4 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -63.64 -25.96 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.882 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' B' ' 56' ' ' VAL . 7.9 tt0 -69.18 -47.31 65.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.297 -177.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.83 -49.03 76.53 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.042 -0.263 . . . . 1.0 111.137 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -42.4 -53.11 4.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.848 0.356 . . . . 1.0 110.779 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' B' ' 65' ' ' SER . 46.2 tp -48.89 -68.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.431 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.6 mt -40.85 -45.74 2.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.358 -178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -63.82 -47.51 80.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.933 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 62' ' ' LEU . 80.7 p -57.67 -35.83 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.272 -177.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' B' ' 67' ' ' HIS . 19.2 t -77.7 -13.26 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.915 -178.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.44 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 2.1 t-80 82.51 14.35 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.328 0.393 . . . . 1.0 111.107 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.4 mt -78.12 -2.3 36.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 177.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' B' ' 70' ' ' LYS . 4.3 p -169.01 162.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.36 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.458 ' N ' ' CG2' ' B' ' 69' ' ' VAL . 33.5 ttmt -151.65 130.47 12.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.349 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.13 133.25 42.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.796 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -89.99 156.26 18.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.367 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -103.4 103.48 13.47 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -98.59 109.68 22.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.767 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' B' ' 76' ' ' GLN . . . 40.67 46.43 3.75 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.78 -0.528 . . . . 1.0 111.78 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' B' ' 75' ' ' GLY . 5.5 tp-100 95.03 -43.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.377 0.671 . . . . 1.0 110.551 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 32.2 t -63.69 178.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.571 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 11.8 ptp -153.13 142.02 21.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.428 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.2 mt -146.26 124.82 4.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.127 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -68.51 144.32 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.655 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.418 ' CB ' ' HG ' ' B' ' 38' ' ' SER . 30.2 t -160.68 139.16 10.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -67.77 122.08 17.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.27 -68.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.553 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.04 104.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.654 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.432 ' CD1' ' N ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -74.66 8.43 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.738 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -85.51 -46.26 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.909 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 10.1 p -72.4 -36.88 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.952 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.69 -46.95 80.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.701 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 5.9 t -75.71 -18.35 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.94 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 27.5 ttt -80.54 -28.1 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 1.0 110.704 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.92 -39.93 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -61.56 -60.61 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.571 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -46.7 -34.02 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.876 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.44 -53.25 24.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.899 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 66.6 mt -79.75 -7.92 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.637 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -77.44 -68.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.702 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -44.24 -46.1 8.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.796 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 49.31 45.79 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.794 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 10.9 m120 45.23 -137.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.719 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 54.71 57.15 11.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.71 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.11 -97.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.689 2.259 . . . . 1.0 111.954 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -62.6 123.69 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.553 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.643 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 10.5 p-10 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.3 p -147.0 9.86 1.0 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.382 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -72.23 -35.46 68.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.64 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.4 p -68.82 -42.02 77.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.541 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.55 -48.42 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.933 0.397 . . . . 1.0 110.06 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' A' ' 17' ' ' THR . 35.2 mt-10 -48.71 -25.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.66 178.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -68.65 -45.34 72.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.585 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.9 -18.99 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.669 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 11.5 p -79.53 -28.34 41.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.107 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.26 -29.91 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.258 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.6 mt -66.82 -67.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.373 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -51.88 -42.56 62.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.572 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -64.26 -13.32 48.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.85 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.79 -50.34 69.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.847 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 10.0 mp -53.48 170.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.33 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.59 -100.26 0.15 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.712 -0.955 . . . . 1.0 110.712 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 40.5 m-20 -79.13 129.23 34.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.689 0.28 . . . . 1.0 110.554 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.517 ' C ' ' H ' ' A' ' 28' ' ' ARG . 6.7 m-85 -42.94 -52.03 5.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.271 -178.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -48.09 -11.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.094 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.517 ' H ' ' C ' ' A' ' 26' ' ' TYR . 58.0 ttt-85 -61.2 -40.11 92.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.778 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.1 mt -78.56 -42.84 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.708 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -53.24 -55.1 27.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.966 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.9 tt -62.14 -37.83 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.835 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 69.7 mtp -68.75 -14.71 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.443 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -72.23 -64.06 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.492 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.8 tp -53.34 -32.69 50.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.355 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.09 -67.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.645 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 m -51.78 -24.5 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.982 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.8 t -85.2 -23.01 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.483 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t -169.95 132.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 1.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -81.85 152.15 27.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.657 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.2 -177.86 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.367 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.517 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 3.0 p -67.2 161.96 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.481 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 43' ' ' GLY . 8.4 p -68.78 -42.87 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.531 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -84.77 -56.67 2.43 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.328 -0.463 . . . . 1.0 112.062 -176.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.53 ' N ' ' HD1' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -40.01 -42.96 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.797 0.295 . . . . 1.0 111.797 -176.239 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.8 pt -61.76 -28.7 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.129 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' GLY . 83.4 p -70.27 -46.04 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.297 -177.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -52.65 33.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.192 -177.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.14 -31.16 70.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.937 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.1 tp -81.82 -9.57 59.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.57 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 62.04 71.88 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.905 0.384 . . . . 1.0 109.993 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -156.86 159.23 37.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.119 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.7 m -80.33 115.41 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.486 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' VAL . 4.0 pt20 -58.44 -46.05 87.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.422 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 53' ' ' GLN . 6.2 m -39.4 -37.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.283 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -81.48 -38.28 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.449 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 59' ' ' GLN . 88.0 t -52.34 -72.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.6 p -42.62 -39.49 2.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.03 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -75.79 -26.48 57.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.664 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' VAL . 47.0 tt0 -71.96 -50.19 31.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.936 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 mt -58.25 -38.29 76.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 1.0 110.498 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -46.2 -46.22 17.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.907 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.97 -66.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.422 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 66' ' ' VAL . 9.9 mp -41.78 -52.14 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.857 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -44.47 -39.24 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 1.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 t -73.16 -24.1 60.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.879 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.469 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 6.8 t -80.57 -7.81 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.787 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 8.4 m-70 75.64 18.58 2.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.52 -0.309 . . . . 1.0 111.198 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -87.71 -24.26 23.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.651 -0.25 . . . . 1.0 110.642 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.9 m -139.32 133.99 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.924 0.392 . . . . 1.0 110.477 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -107.82 131.8 54.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.273 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.71 155.85 19.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.481 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -155.25 138.92 16.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.676 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -97.66 106.07 18.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.25 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -152.72 158.15 41.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 1.0 110.735 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.03 -106.05 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.375 -0.69 . . . . 1.0 111.375 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.37 -72.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 1.0 111.089 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 79' ' ' ILE . 47.9 m -165.55 -167.52 1.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.925 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 51.4 mtt -57.16 77.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.017 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 77' ' ' SER . 78.0 mt -80.62 137.0 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 177.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -88.11 135.88 33.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.755 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 95.5 p -159.68 137.03 9.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.477 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.438 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -74.8 -167.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.839 -179.512 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -157.61 -39.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.55 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -67.96 89.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.411 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.1 tt -58.75 -15.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.636 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -63.18 -55.11 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.518 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.1 t -48.48 -41.82 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.531 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.91 72.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.463 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 31.4 m -74.07 -48.53 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.591 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 34.7 ttm -43.38 -34.76 1.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.132 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' ALA . 35.1 mt -76.11 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.525 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -44.58 -41.13 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.665 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.7 -34.61 78.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.306 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -66.55 -49.41 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.426 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.92 -5.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.469 . . . . 1.0 110.139 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -98.12 -13.02 21.17 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.383 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -60.22 -50.03 75.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.65 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 50.43 68.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.355 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 11.0 m-80 -47.85 112.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.852 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 46.2 m80 -160.36 67.29 2.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.521 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 100' ' ' HIS . 84.7 Cg_exo -47.22 -178.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.59 2.193 . . . . 1.0 112.271 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -58.48 -42.98 88.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.504 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.976 -1.012 . . . . 1.0 110.549 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.428 ' O ' ' OE1' ' B' ' 14' ' ' GLU . 70.4 p -56.85 136.41 55.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.609 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.01 -10.73 4.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.407 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 78.9 m -74.67 -48.91 23.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.476 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tt -49.24 -51.89 30.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.216 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.437 ' CD ' ' H ' ' B' ' 14' ' ' GLU . 2.5 mp0 -47.61 -41.19 21.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.703 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 49.7 ttt85 -67.05 -36.95 83.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.644 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.37 -20.77 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.79 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 23.6 p -81.88 -28.47 32.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.163 178.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -65.38 -29.75 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.34 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 61.0 mt -70.38 -60.39 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.568 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -59.61 -39.48 84.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.846 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -75.14 -8.3 56.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.431 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.71 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.42 ' CD1' ' H ' ' B' ' 23' ' ' LEU . 9.0 mp -50.47 165.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.14 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.94 -76.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.56 -176.19 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.733 0.302 . . . . 1.0 110.422 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -100.1 -50.04 4.1 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.944 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -79.73 2.83 21.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.752 -176.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -63.19 -24.07 67.72 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.509 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' B' ' 30' ' ' ARG . 15.4 tt -80.91 -45.16 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.65 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.428 ' N ' ' CG2' ' B' ' 29' ' ' ILE . 36.0 ttp180 -41.36 -46.27 3.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.235 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' B' ' 34' ' ' LEU . 68.0 mt -57.64 -52.07 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.562 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 22.0 ttt -45.05 -40.45 6.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.718 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.58 -34.11 73.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.501 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' B' ' 31' ' ' ILE . 37.2 tp -71.54 -38.54 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.491 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 38' ' ' SER . 12.8 mt -70.67 -48.1 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.903 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.0 m -45.23 -22.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.783 0.325 . . . . 1.0 110.694 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' B' ' 35' ' ' LEU . 91.6 t -82.15 -40.78 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.371 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.429 ' N ' ' O ' ' B' ' 35' ' ' LEU . 14.1 p -176.1 -112.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.357 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -172.75 167.5 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 1.0 110.613 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.93 -177.85 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.622 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.4 t -62.57 159.05 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.45 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 t -72.75 -42.54 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.16 -178.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.426 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -75.02 -48.64 10.93 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.421 -0.671 . . . . 1.0 111.421 -178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -42.88 -63.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 1.0 111.122 -178.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 91.7 mt -39.1 -31.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.614 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 23.0 p -70.61 -47.14 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.433 -177.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.566 ' HE2' ' NE2' ' B' ' 53' ' ' GLN . 23.5 m170 -78.94 -50.05 11.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.555 -176.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -68.8 11.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.969 -0.292 . . . . 1.0 111.319 -177.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' B' ' 47' ' ' HIS . 14.2 tp -133.65 1.2 3.35 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.92 0.39 . . . . 1.0 110.14 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 m120 60.02 63.23 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.707 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 98.1 mt -141.87 161.01 39.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.904 0.383 . . . . 1.0 110.134 176.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.517 ' C ' ' H ' ' B' ' 54' ' ' SER . 20.4 m -78.44 107.76 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.348 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.566 ' NE2' ' HE2' ' B' ' 47' ' ' HIS . 24.5 pt20 -57.02 -4.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.852 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.517 ' H ' ' C ' ' B' ' 52' ' ' SER . 72.7 m -72.04 -44.85 62.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.531 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -81.94 -37.13 27.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.728 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 95.3 t -41.75 -71.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.213 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.5 m -47.44 -36.47 10.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.975 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' B' ' 54' ' ' SER . 10.3 m-70 -74.14 -24.81 59.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.24 -178.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -74.3 -45.14 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.806 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -56.14 -42.38 76.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 1.0 110.681 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -45.27 -62.22 1.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.927 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 tt -53.24 -66.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.75 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 8.4 mp -43.95 -48.39 8.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.652 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -46.12 -34.21 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.714 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.0 m -81.3 -27.62 34.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.988 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.66 -12.53 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.764 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 t60 78.62 17.47 1.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.285 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.98 -10.06 55.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.758 0.313 . . . . 1.0 110.53 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -153.53 149.95 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.368 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -120.51 -163.2 0.99 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.252 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.28 156.16 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.444 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -154.48 160.92 41.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 1.0 110.51 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -140.01 121.87 15.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.892 -0.595 . . . . 1.0 109.943 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.492 ' C ' ' H ' ' B' ' 76' ' ' GLN . 42.7 tt0 -151.41 88.36 1.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.861 0.362 . . . . 1.0 110.808 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.3 -30.01 0.99 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.492 ' H ' ' C ' ' B' ' 74' ' ' GLN . 82.2 mt-30 -85.88 -104.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.58 0.229 . . . . 1.0 110.415 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 57.1 m -160.64 -167.68 1.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 1.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 53.9 mtt -74.94 75.62 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.398 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 82.4 mt -92.17 117.99 36.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.752 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -75.43 153.52 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.659 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -170.07 -152.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.402 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' B' ' 82' ' ' LEU . 0.6 OUTLIER -157.01 -168.82 2.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.454 179.295 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -159.48 -24.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.216 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 25.0 p-10 -71.25 91.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 1.0 110.793 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 17.9 tt -74.16 -12.24 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.447 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -54.29 -57.22 12.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.874 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.82 -28.96 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.754 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.51 -45.28 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 1.0 110.738 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.556 ' HG1' ' N ' ' B' ' 90' ' ' MET . 30.8 p -70.41 -43.37 70.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.789 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' MET . . . . . 0.556 ' N ' ' HG1' ' B' ' 89' ' ' THR . 71.2 mmm -42.65 -36.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.199 -178.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 24.5 mt -76.23 -43.26 42.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 1.0 110.432 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.32 -55.96 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.684 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -50.32 -30.62 12.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.688 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.501 ' O ' ' ND1' ' B' ' 97' ' ' HIS . . . -74.99 -43.68 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.699 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 77.1 mt -79.87 -10.22 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.603 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -26.57 35.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.529 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.662 ' ND1' ' H ' ' B' ' 98' ' ' ALA . 0.2 OUTLIER -45.64 -33.3 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.624 179.588 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.662 ' H ' ' ND1' ' B' ' 97' ' ' HIS . . . 53.89 6.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.05 178.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.52 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 15.4 t-20 46.59 44.27 13.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 1.0 110.616 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' B' ' 99' ' ' ASN . 64.9 m-70 -160.17 59.07 1.19 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.464 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -76.33 9.89 2.34 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.759 2.306 . . . . 1.0 112.026 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 53.37 -159.21 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.489 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.955 -1.021 . . . . 1.0 110.383 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' A' ' 10' ' ' THR . 6.5 m-20 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 9' ' ' ASN . 81.2 p 49.41 68.1 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.384 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -51.81 -37.26 50.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.828 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.621 ' HG1' ' N ' ' A' ' 13' ' ' LEU . 47.1 p -56.83 -48.41 78.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.821 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.621 ' N ' ' HG1' ' A' ' 12' ' ' THR . 18.3 mt -81.82 -32.83 31.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.753 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' OG1' ' A' ' 17' ' ' THR . 59.8 tt0 -49.39 -44.26 44.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.735 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.58 -34.11 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.725 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.3 t -73.2 -23.52 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.671 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.423 ' H ' ' HG1' ' A' ' 17' ' ' THR . 13.3 p -77.15 -21.31 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.148 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -77.35 -31.44 54.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.464 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.73 -57.57 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.593 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -59.84 -41.7 91.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.81 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -63.89 -5.09 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.796 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.41 -41.71 27.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 1.0 110.554 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 mt -38.53 120.37 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.323 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.25 -128.57 4.55 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.658 -0.977 . . . . 1.0 110.658 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 26' ' ' TYR . 21.0 t0 -80.69 141.02 35.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.701 0.286 . . . . 1.0 110.485 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.429 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 23.0 m-85 -46.44 -29.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.98 -178.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.402 ' OD1' ' NH2' ' A' ' 30' ' ' ARG . 22.6 m-80 -60.89 -6.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 1.0 110.67 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' A' ' 26' ' ' TYR . 57.6 ttt-85 -62.23 -48.97 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.137 -178.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 30' ' ' ARG . 10.4 tp -53.25 -48.0 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.746 -178.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 41.5 ttp180 -44.68 -53.15 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.794 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' LEU . 80.0 mt -67.74 -54.78 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.75 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 32' ' ' MET . 1.9 tmt? -43.29 -29.51 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.033 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -75.75 -36.77 59.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.627 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' ILE . 32.3 tp -60.4 -37.1 79.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.507 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 3.3 mm? -65.46 -45.41 83.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.185 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -46.33 -25.03 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.361 . . . . 1.0 110.585 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.434 ' O ' ' OG ' ' A' ' 38' ' ' SER . 12.5 t -84.92 -50.73 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.987 -179.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 47.5 m -167.66 -131.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.609 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 1.6 pm0 -154.12 160.99 42.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.351 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.36 -177.77 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.587 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.667 ' HG ' ' CG ' ' A' ' 44' ' ' HIS . 14.1 p -76.58 174.6 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.378 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -73.02 -42.07 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.079 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.3 -49.85 7.98 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.538 -0.625 . . . . 1.0 111.538 -178.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.667 ' CG ' ' HG ' ' A' ' 41' ' ' SER . 39.5 m170 -43.02 -53.67 4.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 1.0 110.968 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.401 HG22 HD11 ' A' ' 45' ' ' ILE . 95.2 mt -54.03 -33.97 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.842 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 m -69.94 -71.84 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 1.0 111.203 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -57.08 -48.16 79.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.204 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -37.23 -68.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 1.0 112.037 -176.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.469 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 0.6 OUTLIER -97.36 38.29 1.28 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 122.335 -0.228 . . . . 1.0 111.517 -178.687 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 49' ' ' LEU . 8.2 p30 45.88 98.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.275 0.559 . . . . 1.0 111.756 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' CD1' ' NH2' ' A' ' 30' ' ' ARG . 6.9 tp -164.3 152.31 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.472 -0.785 . . . . 1.0 109.508 176.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.4 p -80.37 114.28 19.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.721 0.296 . . . . 1.0 111.125 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -66.22 -2.46 4.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.813 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 t -70.64 -46.37 63.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.611 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 59' ' ' GLN . 35.7 t30 -79.35 -35.29 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.785 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.5 t -45.58 -76.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.879 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.6 p -42.8 -44.88 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.239 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.418 ' N ' ' HD1' ' A' ' 58' ' ' HIS . 0.7 OUTLIER -73.13 -24.79 60.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.826 -179.046 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 55' ' ' ASN . 7.8 tt0 -73.0 -51.89 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.905 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.27 -31.7 72.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.34 . . . . 1.0 110.664 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -51.77 -58.5 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.571 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.4 tp -47.96 -56.45 7.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.465 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 7.7 mp -52.19 -48.93 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.716 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' CB ' ' HZ3' ' A' ' 64' ' ' LYS . 7.8 ttpm? -45.92 -50.01 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 1.0 110.905 -178.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 m -65.66 -32.67 74.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.797 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.1 t -76.57 -7.32 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.658 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.6 m80 68.15 17.08 9.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.726 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.99 -9.85 58.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.033 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -152.03 147.13 15.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.402 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -96.89 128.52 43.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.158 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.8 103.05 15.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.931 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' ILE . 81.7 tttt -92.49 119.29 31.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.727 -0.471 . . . . 1.0 109.727 177.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -140.48 123.97 16.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.097 0.475 . . . . 1.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' GLN . 8.3 tt0 -89.94 121.93 32.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.868 -0.605 . . . . 1.0 109.644 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.07 -94.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' GLN . 24.8 mt-30 -125.41 87.7 2.74 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.9 t -173.69 124.4 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.3 mtt -87.12 121.08 29.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.085 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 72' ' ' LYS . 10.5 mt -146.36 100.34 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.144 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -82.03 146.51 29.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 1.0 110.926 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.9 p -165.64 149.61 8.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.804 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.38 120.23 28.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.48 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -84.15 -13.56 52.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -76.19 146.25 39.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.516 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.401 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 2.1 pp -111.51 0.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.298 178.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -89.44 -61.57 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.643 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.2 t -45.6 -48.49 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.753 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.94 -52.62 23.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.993 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.9 p -72.57 -46.87 52.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.739 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 90' ' ' MET . 1.5 tmt? -47.08 -27.39 1.35 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.456 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 tp -72.67 -55.21 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 96' ' ' HIS . 0.7 OUTLIER -56.82 -47.55 80.02 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 178.41 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -48.08 -37.39 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.91 -51.36 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.486 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.4 mt -76.28 -6.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.446 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 92' ' ' LYS . 69.1 t60 -71.94 -45.33 61.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.37 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -56.85 -23.17 42.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.521 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.09 -33.86 44.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.607 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 5.0 m120 -67.07 -176.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.899 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 38.8 m80 -159.98 67.94 2.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.449 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -43.11 95.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.72 2.28 . . . . 1.0 112.45 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -75.29 -23.17 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.627 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.566 179.738 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.9 p 42.45 28.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.124 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -159.8 -62.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.75 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.2 p -70.0 -37.14 75.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.555 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 tp -52.64 -48.4 66.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.98 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -47.71 -28.6 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -82.07 -24.26 35.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.969 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.5 t -74.82 -27.03 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.967 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.0 t -81.9 -29.93 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.139 178.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -59.49 -38.99 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.191 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.77 -68.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.409 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -50.9 -40.96 58.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.673 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -59.14 -32.84 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.9 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.23 -44.84 79.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.845 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 tp -37.6 113.69 0.28 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.477 -178.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.87 -139.54 8.21 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.97 141.31 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 1.0 110.713 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.523 ' CE2' ' OD1' ' B' ' 27' ' ' ASN . 29.9 p90 -47.44 -22.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.767 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.523 ' OD1' ' CE2' ' B' ' 26' ' ' TYR . 30.8 m-20 -59.95 -9.56 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 1.0 110.407 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -68.92 -37.52 78.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.796 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mt -58.78 -63.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.596 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -43.11 -46.0 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.81 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.68 -57.29 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.436 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 36.0 tpp -48.88 -37.9 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.847 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.17 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.729 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 56.3 tp -46.34 -27.76 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.481 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.2 OUTLIER -60.48 -34.38 73.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.106 0.479 . . . . 1.0 109.926 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.5 t -40.65 -21.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.279 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' B' ' 35' ' ' LEU . 2.1 p -175.36 86.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.331 0.586 . . . . 1.0 110.1 178.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 29.2 m -171.88 179.99 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.643 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -174.59 124.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.314 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.33 -177.61 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 1.0 110.825 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.1 p -78.68 -177.74 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.502 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.407 ' O ' ' OG ' ' B' ' 46' ' ' SER . 27.7 t -77.87 -33.93 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.737 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.39 -51.11 4.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.137 -0.785 . . . . 1.0 111.137 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -44.79 -65.65 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 1.0 110.875 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.8 tt -50.29 -36.27 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.639 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' B' ' 42' ' ' VAL . 30.9 m -72.78 -67.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.175 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -52.66 -51.19 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.237 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.511 ' C ' ' H ' ' B' ' 50' ' ' ASN . 80.5 mm-40 -48.92 -63.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.058 -178.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.74 13.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.281 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' B' ' 48' ' ' GLN . 2.0 m120 60.36 65.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 1.0 111.115 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 mt -136.21 148.71 48.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.87 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.513 ' C ' ' H ' ' B' ' 54' ' ' SER . 20.1 t -77.02 106.04 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.162 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -58.53 -2.76 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.005 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.513 ' H ' ' C ' ' B' ' 52' ' ' SER . 20.5 t -76.88 -43.74 34.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.419 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' B' ' 59' ' ' GLN . 49.2 t30 -82.67 -40.93 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.648 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' B' ' 59' ' ' GLN . 63.9 t -45.34 -74.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.806 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 57.6 p -46.01 -41.09 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.686 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -70.93 -20.3 62.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.73 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' B' ' 56' ' ' VAL . 10.9 tt0 -78.97 -42.42 26.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.781 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.3 mt -59.3 -39.91 84.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.405 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.29 -56.28 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.609 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 tt -49.24 -70.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.213 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.445 ' CD1' ' H ' ' B' ' 63' ' ' LEU . 10.0 mp -41.76 -51.08 4.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.831 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.422 ' NZ ' ' CB ' ' B' ' 64' ' ' LYS . 2.6 ttmp? -50.11 -39.32 42.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 1.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -72.34 -23.42 61.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.666 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 43.5 t -77.23 -5.08 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.584 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 38.9 t60 68.68 11.8 8.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.0 tt -82.07 -74.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.802 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 24.6 t -85.17 155.82 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.625 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.675 ' HZ3' ' H ' ' B' ' 83' ' ' ASP . 23.4 pttm -139.17 -163.54 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.04 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -164.38 -166.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.411 . . . . 1.0 110.815 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -153.21 143.3 22.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.043 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -88.22 114.77 25.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.98 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -118.64 88.84 3.0 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.74 -130.83 23.19 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.312 -1.115 . . . . 1.0 110.312 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -81.25 -28.59 34.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 1.0 110.547 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -75.73 -174.61 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.933 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.2 ttt -163.78 96.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.882 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 16.6 mt -82.96 120.88 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.126 -177.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -79.05 157.4 28.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.4 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 19.6 t -168.76 178.67 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.985 0.421 . . . . 1.0 111.155 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.9 tp -156.29 102.44 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.841 -0.618 . . . . 1.0 109.654 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.675 ' H ' ' HZ3' ' B' ' 70' ' ' LYS . 25.0 t0 -77.18 4.31 10.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.814 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.43 ' C ' ' H ' ' B' ' 86' ' ' HIS . 31.3 t70 -80.89 87.23 5.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 1.0 110.631 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 25.1 pt -73.59 8.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.53 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' B' ' 84' ' ' ASP . 56.1 t-80 -81.95 -48.14 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.666 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 12.4 p -77.78 -36.56 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.676 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.34 -55.33 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.525 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 3.4 t -63.41 -40.35 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.715 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 10.8 ttt -44.18 -34.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.945 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 94' ' ' ALA . 16.8 mt -73.83 -57.95 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.258 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -47.82 -27.88 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.278 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -69.78 -33.55 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.529 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -67.2 -44.55 79.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.417 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.525 ' CD1' ' N ' ' B' ' 95' ' ' ILE . 1.8 mp -75.52 -6.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.087 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -71.14 -64.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 1.0 110.288 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 99' ' ' ASN . 23.0 p-80 -87.7 -24.6 23.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.112 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 47.16 -88.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.707 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' B' ' 97' ' ' HIS . 1.6 t30 -109.8 134.36 52.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -63.02 152.0 84.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 102' ' ' LYS . 39.4 Cg_exo -37.1 137.22 0.29 Allowed 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.088 1.859 . . . . 1.0 112.733 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' B' ' 101' ' ' PRO . 75.9 tttt 55.46 109.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.519 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.045 -0.978 . . . . 1.0 110.558 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.8 t30 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.516 ' C ' ' H ' ' A' ' 12' ' ' THR . 34.7 p -61.74 85.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.644 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 57.65 3.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.752 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 10' ' ' THR . 46.7 m -81.53 -69.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.502 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 15' ' ' ARG . 2.4 tt -56.93 -45.38 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.502 . . . . 1.0 109.8 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -43.71 -17.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.932 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 13' ' ' LEU . 10.0 tpt180 -64.47 -57.65 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.314 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.8 t -57.69 -18.7 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.532 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 m -79.59 -28.11 41.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.513 . . . . 1.0 109.824 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.78 -33.4 72.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.294 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.4 mt -66.58 -69.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.495 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -50.99 -41.7 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.675 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.92 -28.55 57.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.684 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.44 86.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.732 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 3.5 mm? -49.75 142.78 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 1.0 109.918 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.57 -126.77 1.58 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.784 -0.926 . . . . 1.0 110.784 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.46 132.54 54.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 1.0 110.722 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -68.98 -12.59 61.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.847 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -68.32 -20.09 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 1.0 110.462 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -64.46 -33.69 76.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.783 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.4 -52.25 54.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.511 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -47.46 -41.49 20.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.754 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 mt -64.39 -61.82 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.428 ' O ' ' OG ' ' A' ' 36' ' ' SER . 62.5 mtt -46.2 -24.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.779 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -73.87 -32.4 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.969 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.97 -41.69 10.98 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.062 0.458 . . . . 1.0 110.227 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 tp -74.94 -57.63 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.459 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 32' ' ' MET . 2.9 m -52.11 -14.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.244 0.461 . . . . 1.0 112.244 -175.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.4 m -102.83 -23.44 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 122.4 -0.188 . . . . 1.0 111.221 -178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 m -156.29 145.49 20.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.868 0.366 . . . . 1.0 110.749 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.4 143.9 29.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.751 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.82 -178.72 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.347 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.2 p -77.59 176.8 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.735 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 p -78.56 -38.48 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.873 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -85.63 -56.98 2.26 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.246 -0.742 . . . . 1.0 111.246 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.42 -41.84 4.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.316 . . . . 1.0 110.961 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.8 tt -70.75 -30.31 41.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.552 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' GLY . 29.6 p -76.36 -58.28 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.916 -179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.516 ' CD2' ' OE1' ' A' ' 53' ' ' GLN . 34.2 m80 -50.52 -51.73 44.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.791 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -55.06 -45.77 75.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.086 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.93 4.81 11.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.255 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 60.22 60.55 2.03 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.886 -0.326 . . . . 1.0 111.051 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 mt -133.39 151.91 51.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.972 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 54' ' ' SER . 18.0 m -78.53 107.12 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.594 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.598 ' H ' ' NE2' ' A' ' 53' ' ' GLN . 1.8 pm0 -57.24 -3.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.795 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 52' ' ' SER . 7.0 m -77.8 -44.64 26.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.498 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -79.07 -37.07 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.584 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.1 t -44.31 -66.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 t -43.34 -36.97 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -77.7 -30.94 52.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.74 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' VAL . 54.8 mt-30 -67.65 -54.22 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.768 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 mt -50.3 -45.75 54.85 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.619 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -37.79 -51.58 1.27 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.508 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.9 tp -58.39 -55.27 37.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.743 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.418 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.8 mp -53.48 -52.82 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.518 -176.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -32.69 71.73 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.817 -177.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -81.06 8.79 7.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.461 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.402 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 61.6 t -126.06 -3.98 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.065 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 71.09 16.65 6.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.884 0.373 . . . . 1.0 110.383 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tp -80.89 -14.95 57.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.2 t -149.44 133.16 8.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.632 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -96.96 107.28 19.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.197 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.56 160.21 17.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.513 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -150.3 150.05 30.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.176 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 123.62 18.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.023 0.44 . . . . 1.0 110.277 -179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -160.26 81.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.051 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.86 -175.36 20.62 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.774 -1.33 . . . . 1.0 109.774 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -56.13 -65.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.619 -0.432 . . . . 1.0 109.893 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.446 ' C ' ' SD ' ' A' ' 78' ' ' MET . 51.6 p -70.9 -169.45 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.462 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 77' ' ' SER . 2.1 mpt? -140.51 157.26 45.76 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.345 -0.389 . . . . 1.0 109.992 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.6 mt -146.47 107.4 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.624 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 6.6 p90 -108.84 152.29 25.09 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.017 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 80' ' ' TYR . 4.1 m -167.18 174.05 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 1.0 110.715 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 7.9 mp -83.17 -172.42 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 1.0 109.915 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -159.65 -50.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.57 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.9 102.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.9 pt -73.09 4.23 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.584 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -81.03 -47.24 13.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.711 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.09 -39.44 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.007 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.1 -50.69 63.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.764 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.4 m -67.36 -40.31 85.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.843 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 90' ' ' MET . 12.8 tmm? -45.87 -31.84 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.588 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.6 -62.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.106 179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 68.2 mttm -50.12 -36.88 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.464 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.99 -22.86 67.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.385 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.02 -47.52 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.502 179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 63.9 mt -74.16 -6.35 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.178 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 92' ' ' LYS . 1.9 m-70 -81.77 -46.88 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -43.94 -52.82 6.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.868 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 99' ' ' ASN . . . 58.39 38.52 25.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.674 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 98' ' ' ALA . 2.5 m120 51.11 174.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.618 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.616 ' H ' ' HD1' ' A' ' 100' ' ' HIS . 19.7 p-80 -79.21 150.63 74.55 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.223 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -37.81 142.89 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.994 1.796 . . . . 1.0 112.643 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -62.64 110.22 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.6 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.013 -0.994 . . . . 1.0 110.611 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' B' ' 11' ' ' ASP . 23.1 m120 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.294 -0.632 . . . . 1.0 109.294 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -64.21 -1.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.708 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' B' ' 9' ' ' ASN . 3.6 m-20 -80.33 -74.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.654 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' B' ' 15' ' ' ARG . 20.5 p -67.43 -40.75 85.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.857 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 15' ' ' ARG . 22.6 tp -51.22 -55.06 20.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 1.0 110.799 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.427 ' O ' ' OG1' ' B' ' 17' ' ' THR . 7.1 tp10 -41.09 -24.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.702 0.287 . . . . 1.0 111.524 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' B' ' 13' ' ' LEU . 18.9 mmm180 -57.94 -61.31 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.025 -0.27 . . . . 1.0 111.469 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.523 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 3.9 m -61.85 -19.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.981 -177.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 16.1 p -77.08 -18.66 57.87 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.006 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -80.27 -44.08 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.075 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 13.2 pt -61.52 -41.55 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.321 -176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 30.0 m-85 -74.97 -45.16 44.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.41 -0.516 . . . . 1.0 110.526 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -64.07 -16.48 61.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 1.0 110.539 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.37 82.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.472 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 41.6 mt -52.8 166.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.502 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.478 ' N ' ' NH1' ' B' ' 28' ' ' ARG . . . -160.69 -26.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -153.89 128.98 9.63 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.932 -0.395 . . . . 1.0 109.932 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' B' ' 27' ' ' ASN . 44.8 p90 -59.93 -43.59 94.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.988 -178.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.621 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 34.1 p30 -46.02 -16.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.125 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.478 ' NH1' ' N ' ' B' ' 24' ' ' GLY . 99.4 mtt180 -65.45 -16.39 63.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.967 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' B' ' 30' ' ' ARG . 21.3 tt -73.85 -48.7 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.481 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.47 ' N ' ' CG2' ' B' ' 29' ' ' ILE . 79.5 mtt85 -44.19 -54.92 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.953 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.9 pt -66.27 -31.6 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.726 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 18.1 ttt -62.91 -45.77 90.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.839 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -55.11 -50.74 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.647 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.427 ' O ' ' OG ' ' B' ' 38' ' ' SER . 9.9 tp -64.36 -38.86 92.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.698 -179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.2 OUTLIER -66.31 -50.15 64.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 1.0 109.972 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.7 t -44.6 -15.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.197 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.5 p -162.71 75.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.548 0.69 . . . . 1.0 111.142 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 34' ' ' LEU . 91.5 p -173.65 -165.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.478 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -171.52 114.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.013 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.98 -177.67 5.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.786 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.6 t -74.49 -176.27 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.229 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 26.2 m -86.61 -29.37 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.63 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -91.54 -53.18 2.17 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.272 -0.731 . . . . 1.0 111.272 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.569 ' ND1' ' N ' ' B' ' 44' ' ' HIS . 1.1 m-70 -42.98 -32.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 1.0 111.339 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.6 pt -77.71 -26.84 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.951 -178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.49 ' N ' ' O ' ' B' ' 43' ' ' GLY . 15.2 m -74.95 -51.38 13.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.102 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -64.28 -52.58 57.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.937 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -54.8 -46.45 74.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.135 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -76.83 8.95 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.621 -0.263 . . . . 1.0 110.82 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 61.37 56.78 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.294 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 97.3 mt -136.05 158.2 44.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.938 0.399 . . . . 1.0 110.489 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.532 ' C ' ' H ' ' B' ' 54' ' ' SER . 58.6 m -80.55 109.54 15.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.438 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.523 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 5.6 pm0 -57.77 -1.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 1.0 111.183 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.532 ' H ' ' C ' ' B' ' 52' ' ' SER . 4.4 m -78.13 -44.77 25.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.707 0.289 . . . . 1.0 110.73 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -81.84 -37.95 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.941 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' B' ' 59' ' ' GLN . 96.4 t -43.64 -65.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.055 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.6 m -41.66 -35.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.494 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -76.87 -24.5 52.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.59 -0.277 . . . . 1.0 111.066 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' B' ' 56' ' ' VAL . 20.6 mt-30 -66.72 -50.54 62.47 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.81 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.96 -42.64 90.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 1.0 110.731 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -44.78 -55.4 5.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.657 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 59.2 tp -48.76 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.112 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.488 ' CD1' ' H ' ' B' ' 63' ' ' LEU . 9.8 mp -42.0 -56.84 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.015 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -42.28 -32.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.226 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 29.1 m -83.24 -31.69 26.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.215 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.466 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 13.1 t -77.36 -6.27 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.084 -177.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.466 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 11.2 m-70 75.24 21.29 1.9 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.693 -0.23 . . . . 1.0 111.523 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 29.5 mt -89.87 -5.14 57.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.758 -0.201 . . . . 1.0 110.839 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 30.7 m -149.6 139.1 15.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.89 0.376 . . . . 1.0 110.755 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -114.65 117.55 31.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.893 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.45 121.8 32.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.087 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.422 ' N ' ' CD ' ' B' ' 72' ' ' LYS . 1.9 mptp? -89.95 138.08 31.8 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 177.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -137.79 104.58 5.33 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.98 0.419 . . . . 1.0 110.796 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.405 ' N ' ' CD ' ' B' ' 74' ' ' GLN . 4.2 mp0 -90.3 124.79 35.18 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.212 -0.662 . . . . 1.0 109.212 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.54 -103.57 0.06 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.209 -1.156 . . . . 1.0 110.209 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.428 ' O ' ' OG ' ' B' ' 77' ' ' SER . 79.5 mt-30 -124.12 88.52 2.92 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 177.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 76' ' ' GLN . 44.2 m -171.31 107.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.539 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 69.0 mtp -86.65 121.59 29.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.845 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.01 117.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.25 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -79.55 139.46 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.035 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 7.9 t -154.21 131.76 11.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 40.8 tp -96.07 112.59 24.28 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.806 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -44.57 -29.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.87 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' B' ' 88' ' ' ALA . 33.7 t0 35.79 92.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.659 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 6.4 tp -111.47 -48.98 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 110.061 -0.348 . . . . 1.0 110.061 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -107.12 -42.81 4.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.479 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 91.3 t -45.29 -42.94 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.698 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' B' ' 84' ' ' ASP . . . -42.44 -64.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.345 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.416 ' O ' ' N ' ' B' ' 92' ' ' LYS . 70.2 p -74.23 -52.27 12.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.921 -178.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 39.0 ttm -41.72 -38.05 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.345 -0.388 . . . . 1.0 111.436 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.89 -36.61 56.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 1.0 110.234 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' B' ' 89' ' ' THR . 33.7 ttmt -63.21 -61.26 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.449 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -46.86 -37.14 8.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.584 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.76 -49.14 74.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.615 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 93.8 mt -74.76 -7.98 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.71 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -83.12 -24.29 32.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 1.0 110.469 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.495 ' C ' ' H ' ' B' ' 99' ' ' ASN . 57.3 t-80 -60.28 -11.21 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.697 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.407 ' O ' ' CD2' ' B' ' 100' ' ' HIS . . . -72.06 41.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.479 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.495 ' H ' ' C ' ' B' ' 97' ' ' HIS . 74.2 m-20 -64.27 138.55 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.66 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' B' ' 98' ' ' ALA . 0.6 OUTLIER -177.31 59.58 0.16 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.681 -179.73 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.6 -179.48 4.89 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.702 2.268 . . . . 1.0 111.887 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -52.83 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.495 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.596 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.441 -0.578 . . . . 1.0 109.441 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.518 ' OG1' ' N ' ' A' ' 11' ' ' ASP . 3.3 t -166.62 -166.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.503 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.526 ' CG ' HH12 ' A' ' 15' ' ' ARG . 29.7 t70 -157.65 -37.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.248 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.3 m -60.38 -51.42 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.423 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -55.46 -42.81 74.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.536 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -48.34 -27.4 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.842 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.526 HH12 ' CG ' ' A' ' 11' ' ' ASP . 59.3 mmt-85 -66.53 -61.01 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.241 -178.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 p -70.51 -22.23 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 1.0 110.71 -178.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 m -73.12 -38.7 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.705 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.25 -41.9 94.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.609 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.4 mm -47.43 -65.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -50.04 -41.47 47.73 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.524 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -59.67 -52.42 65.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.769 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.33 -43.92 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.652 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 tt -37.32 115.56 0.41 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.307 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.73 -148.82 11.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ASN . 6.1 m-20 -66.35 144.47 56.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 1.0 110.51 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.504 ' C ' ' H ' ' A' ' 28' ' ' ARG . 14.0 m-85 -41.45 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.285 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ASP . 87.3 m-20 -59.61 -3.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.525 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 26' ' ' TYR . 63.2 ttt-85 -67.13 -35.14 79.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.644 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.416 HD13 HG22 ' A' ' 29' ' ' ILE . 15.9 mm -67.91 -58.01 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.687 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -37.23 -60.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.616 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.15 -52.22 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.834 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.9 tpt -44.69 -33.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.531 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -64.83 -76.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.497 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.6 tp -55.49 -32.5 62.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.528 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' C ' ' N ' ' A' ' 37' ' ' VAL . 36.2 tp -63.89 -30.13 71.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.144 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.4 p -47.87 -16.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.288 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.465 ' N ' ' C ' ' A' ' 35' ' ' LEU . 4.5 p -178.04 105.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.758 -0.655 . . . . 1.0 109.942 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' GLU . 99.6 p -163.36 -48.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.922 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' SER . 70.2 mm-40 51.02 97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.155 -0.313 . . . . 1.0 110.155 -178.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -159.37 -177.62 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.782 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -69.27 166.73 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.596 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 t -77.15 -37.39 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.916 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.92 -62.08 1.87 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.373 -0.691 . . . . 1.0 111.373 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.587 ' H ' ' ND1' ' A' ' 44' ' ' HIS . 1.3 m-70 -42.45 -56.2 3.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.718 0.294 . . . . 1.0 111.288 -178.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.0 tt -43.6 -27.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.135 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -80.05 -44.43 20.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.106 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -54.39 -56.85 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.455 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -66.1 -31.55 72.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 1.0 110.695 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.3 tp -75.02 -13.51 60.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.286 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.39 80.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.483 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.68 156.66 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.197 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 54' ' ' SER . 39.6 m -79.14 111.89 15.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.621 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.03 -1.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.592 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.499 ' H ' ' C ' ' A' ' 52' ' ' SER . 47.7 t -72.45 -41.89 65.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.463 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' GLN . 7.9 m-80 -81.91 -33.15 30.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.721 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 59' ' ' GLN . 93.0 t -46.11 -74.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.703 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.4 t -41.26 -40.77 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.33 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -76.2 -27.78 57.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.548 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 56' ' ' VAL . 57.0 tt0 -65.3 -60.29 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.917 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.07 -36.89 73.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.697 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -44.91 -56.06 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.828 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' O ' ' OG ' ' A' ' 65' ' ' SER . 2.3 tt -56.04 -64.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.508 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.7 mp -46.17 -55.45 7.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.563 -178.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.29 -26.68 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.607 -0.269 . . . . 1.0 111.176 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 62' ' ' LEU . 11.4 p -67.94 -31.7 71.63 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.837 -0.345 . . . . 1.0 111.024 -178.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 m -108.97 29.46 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.888 -178.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 55.72 19.41 3.38 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.741 0.645 . . . . 1.0 112.741 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.6 mt -74.26 -17.39 60.87 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.241 -0.584 . . . . 1.0 110.004 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -151.17 129.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.203 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -100.45 135.14 42.35 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.646 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 157.41 18.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.306 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -154.24 143.6 21.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.958 0.408 . . . . 1.0 110.622 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.54 125.16 19.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.712 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' A' ' 76' ' ' GLN . 56.7 mt-30 -146.47 80.15 1.55 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.936 -178.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.18 -29.16 1.92 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.33 -0.708 . . . . 1.0 111.33 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.433 ' H ' ' C ' ' A' ' 74' ' ' GLN . 67.0 mt-30 -82.41 -98.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.755 0.312 . . . . 1.0 110.49 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.655 ' HG ' ' H ' ' A' ' 78' ' ' MET . 12.0 t -158.99 -174.85 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.4 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.655 ' H ' ' HG ' ' A' ' 77' ' ' SER . 16.1 ttt -75.73 75.75 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.474 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.8 pt -97.86 135.39 32.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.406 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -79.11 162.43 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.842 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 t -154.5 127.98 8.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.631 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 tt -80.47 114.21 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.293 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -69.41 -58.51 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.567 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.18 78.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.613 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.9 tt -65.54 -26.12 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.751 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -51.94 -20.36 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.811 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.87 -37.38 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.762 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.45 -53.94 38.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.271 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -43.73 68.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.964 -178.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.8 tpp -55.56 -25.68 39.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.735 0.303 . . . . 1.0 110.89 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' ALA . 3.2 tt -73.71 -55.64 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 1.0 110.278 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -42.19 -48.89 4.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.992 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -56.64 -37.26 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.497 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -60.59 -52.29 65.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.649 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mm -60.0 -10.54 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.891 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -102.1 -7.05 22.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.775 0.321 . . . . 1.0 110.33 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' A' ' 98' ' ' ALA . 51.9 t-80 -77.42 -63.49 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.827 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 97' ' ' HIS . . . -52.91 -106.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.618 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 99' ' ' ASN . 6.8 p-10 41.91 73.68 0.13 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.197 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 53.22 71.44 1.42 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.742 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -47.16 107.8 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.713 2.275 . . . . 1.0 112.316 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -79.5 -179.87 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.636 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.957 -1.02 . . . . 1.0 110.609 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 70.8 p -76.51 111.21 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -80.46 -28.45 37.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.74 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.1 p -60.79 -48.83 80.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.554 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 16' ' ' VAL . 11.4 tp -67.94 -36.02 79.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.09 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -45.39 -44.85 12.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.748 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -53.88 -31.54 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.207 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' B' ' 13' ' ' LEU . 8.7 t -77.92 -24.78 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.434 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.4 m -74.67 -19.3 60.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.556 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -85.74 -58.12 2.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.335 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' B' ' 20' ' ' PHE . 15.1 tt -43.66 -45.75 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.578 -0.283 . . . . 1.0 111.269 -177.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.437 ' N ' ' CG2' ' B' ' 19' ' ' ILE . 38.8 m-85 -70.43 -40.46 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.358 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -58.49 -28.91 65.82 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.499 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.73 -43.41 47.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.361 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 mt -52.6 146.62 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.406 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.84 -120.65 0.96 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -49.35 111.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 1.0 110.549 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.419 ' C ' ' H ' ' B' ' 28' ' ' ARG . 13.6 m-85 -50.27 -33.39 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.888 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -61.13 -5.42 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.928 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.419 ' H ' ' C ' ' B' ' 26' ' ' TYR . 9.4 ptm180 -64.61 -27.12 68.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.032 -178.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' B' ' 30' ' ' ARG . 17.8 tt -65.19 -47.86 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.784 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.421 ' N ' ' CG2' ' B' ' 29' ' ' ILE . 13.7 mtp-105 -50.1 -36.78 30.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.738 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.6 mt -77.19 -60.73 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.714 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.7 mmt -45.81 -38.91 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.882 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -63.35 -41.41 98.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.757 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.07 -35.45 75.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.353 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 37' ' ' VAL . 16.3 mt -67.96 -26.1 65.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.904 -178.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -45.01 -22.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 1.0 110.744 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' B' ' 35' ' ' LEU . 6.4 p -171.29 74.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 1.0 110.307 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.7 p -173.27 -170.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.535 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -178.31 128.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.256 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.36 -179.77 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 1.0 110.827 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.8 p -69.9 174.71 4.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.86 -17.95 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.419 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -99.97 -68.07 0.86 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' B' ' 46' ' ' SER . 69.0 m-70 -44.19 -48.1 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 1.0 111.046 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 tt -44.19 -21.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.846 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.433 ' N ' ' O ' ' B' ' 44' ' ' HIS . 55.4 p -93.86 -41.26 9.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.932 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -60.62 -51.87 67.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.033 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -54.45 -44.97 72.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.119 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 25.8 mt -77.61 14.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.973 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 59.92 12.72 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 1.0 110.698 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 tt -83.58 139.55 32.79 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.537 ' C ' ' H ' ' B' ' 54' ' ' SER . 57.7 p -76.05 127.19 32.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.426 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 1.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.654 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.537 ' H ' ' C ' ' B' ' 52' ' ' SER . 48.5 m -71.93 -31.92 66.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.728 0.299 . . . . 1.0 110.845 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.549 ' C ' ' H ' ' B' ' 57' ' ' SER . 59.1 m-20 -87.53 -45.27 10.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.24 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.43 -2.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.803 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.549 ' H ' ' C ' ' B' ' 55' ' ' ASN . 21.6 t -84.65 -64.95 1.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.055 0.455 . . . . 1.0 110.158 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.26 -5.56 52.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.978 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -59.87 -76.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 1.0 110.675 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.42 -30.51 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.862 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -49.74 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 1.0 110.768 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.432 ' O ' ' OG ' ' B' ' 65' ' ' SER . 19.3 tp -53.99 -62.18 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.719 -178.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 8.2 mp -46.82 -59.05 3.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.231 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -53.48 -16.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.903 -0.319 . . . . 1.0 110.997 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' B' ' 62' ' ' LEU . 3.7 p -84.77 -5.99 59.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.268 -178.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 m -133.42 27.73 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.479 0.18 . . . . 1.0 110.965 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 40.3 m80 57.11 22.12 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.887 0.699 . . . . 1.0 112.887 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -76.48 -15.23 59.95 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.424 -0.51 . . . . 1.0 110.215 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.1 m -154.88 149.72 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.457 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.481 ' CG ' ' N ' ' B' ' 71' ' ' ALA . 32.4 ttpt -106.99 164.79 11.85 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.006 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' B' ' 70' ' ' LYS . . . -153.78 118.29 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 1.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -80.63 137.83 36.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.021 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -139.4 87.22 2.17 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.212 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' B' ' 76' ' ' GLN . 9.1 tp-100 -79.84 131.16 35.82 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.782 -0.822 . . . . 1.0 108.782 174.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.31 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.169 -1.172 . . . . 1.0 110.169 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' B' ' 74' ' ' GLN . 2.5 pt20 -139.33 92.31 2.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.881 0.372 . . . . 1.0 110.199 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.5 m -165.17 113.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.37 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.1 mtp -82.98 90.71 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.994 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 mm -108.85 90.16 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.207 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -71.13 137.82 49.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 1.0 110.659 -179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 70' ' ' LYS . 7.6 t -159.47 147.96 17.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.745 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.08 -146.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -172.4 -56.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.483 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 84' ' ' ASP . 38.7 p-10 -70.75 97.7 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.324 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.466 ' C ' ' N ' ' B' ' 87' ' ' VAL . 14.5 tt -68.64 -41.04 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.284 -177.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -46.82 -15.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 1.0 110.653 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.466 ' N ' ' C ' ' B' ' 85' ' ' ILE . 91.3 t -85.6 -35.85 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.631 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 85' ' ' ILE . . . -64.39 -43.3 94.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.845 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 9.4 t -70.33 -42.12 72.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.57 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.9 tpt -55.32 -27.19 45.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -68.54 -61.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.238 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -53.33 -37.05 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.548 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.533 ' NE2' ' NE2' ' B' ' 97' ' ' HIS . 9.2 tm0? -55.12 -32.88 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.259 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.37 -43.03 61.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.503 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.2 mm -72.18 -4.88 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.568 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.427 ' O ' ' O ' ' B' ' 99' ' ' ASN . 52.4 t-80 -82.58 -57.91 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.588 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.533 ' NE2' ' NE2' ' B' ' 93' ' ' GLN . 14.1 m170 -48.39 -53.58 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.531 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.59 -93.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.525 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' B' ' 96' ' ' HIS . 47.8 t30 -57.82 141.11 50.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.457 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 49.86 66.46 5.57 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.427 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -43.17 -68.07 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.802 2.334 . . . . 1.0 112.505 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 tttt 51.83 86.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.522 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.972 -1.013 . . . . 1.0 110.649 -179.894 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' O ' ' OG1' ' A' ' 10' ' ' THR . 11.8 t-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 9' ' ' ASN . 4.9 m -167.69 47.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.333 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 11' ' ' ASP . 36.2 t0 -68.47 -16.02 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.505 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.3 m -60.19 -47.22 86.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.32 -37.95 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.279 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -51.26 -44.4 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.478 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -61.17 -40.14 92.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.614 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.87 -22.21 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.607 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.3 m -78.83 -25.07 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.311 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -72.81 -27.9 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.814 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.64 -47.99 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.004 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -79.56 -39.96 30.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.15 -178.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -59.95 -22.37 62.39 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.369 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.26 99.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.395 179.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 3.5 mm? -52.14 146.64 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.843 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.27 -157.32 7.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 -179.651 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -46.08 157.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 1.0 110.776 -179.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -62.96 -10.87 15.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.729 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' OD1' ' NE2' ' A' ' 59' ' ' GLN . 46.0 t-20 -56.63 -38.37 72.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.549 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.1 mmt-85 -65.68 -58.59 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.95 -52.24 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.488 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -43.49 -67.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.991 -179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.51 -51.91 63.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.686 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 32' ' ' MET . 13.0 tmm? -45.2 -32.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.782 -179.491 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.36 -44.98 49.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.854 -179.3 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.6 -35.83 70.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.077 0.465 . . . . 1.0 110.171 -179.296 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -66.33 -61.43 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.232 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -38.99 -23.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.56 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 35' ' ' LEU . 94.9 t -82.39 -38.35 15.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.834 -179.626 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' LEU . 14.0 t -177.11 160.05 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.624 -179.565 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 20.1 mp0 -82.0 155.01 25.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.505 179.648 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.01 173.05 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -72.24 169.44 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.443 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.2 m -73.06 -42.95 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.194 -178.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.68 -59.55 2.47 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.418 -0.673 . . . . 1.0 111.418 -178.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -42.06 -58.83 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 1.0 111.14 -178.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 tt -50.07 -32.53 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.802 -179.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m -80.59 -45.89 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.542 -177.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -64.88 -54.36 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.45 -177.181 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -59.42 -40.22 86.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.688 -178.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.2 tp -74.13 -4.33 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.129 -179.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 67.77 80.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.245 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.8 tp -159.62 151.56 20.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.191 -178.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.9 t -75.6 111.37 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.425 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -64.56 -3.72 3.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.763 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.8 p -83.99 -25.31 30.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.52 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -89.93 -43.77 10.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.178 -178.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 59' ' ' GLN . 32.9 m -44.53 -52.0 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 121.073 -0.251 . . . . 1.0 111.05 -177.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.411 ' N ' ' CG2' ' A' ' 56' ' ' VAL . 48.0 p -41.99 -38.6 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 1.0 111.076 -179.108 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -78.15 -29.74 48.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.55 179.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 56' ' ' VAL . 32.7 mt-30 -65.76 -56.08 13.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.927 -179.096 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -53.13 -43.37 66.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 1.0 110.639 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -42.56 -57.75 2.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.874 -179.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 tp -50.34 -68.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.408 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 4.0 mm? -43.54 -55.39 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.742 -179.11 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -46.84 -69.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.892 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.514 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 8.2 t -47.72 -50.22 25.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.538 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.439 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 89.4 t -52.75 -9.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.928 -177.603 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' A' ' 65' ' ' SER . 14.1 m-70 76.06 17.16 2.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.481 -0.327 . . . . 1.0 111.644 177.532 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.55 -82.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 178.036 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.6 m -68.29 145.4 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.975 -178.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -101.72 106.5 17.53 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.154 178.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.75 133.7 34.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.716 -179.14 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -114.86 140.02 49.3 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.191 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -139.72 112.74 8.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.335 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -160.06 81.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.69 -65.26 0.38 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.357 -1.097 . . . . 1.0 110.357 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -164.07 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.034 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.9 m -68.95 -167.43 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.124 177.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.469 ' SD ' ' OH ' ' A' ' 80' ' ' TYR . 0.5 OUTLIER -142.37 105.48 4.59 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.686 -0.487 . . . . 1.0 109.686 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 mt -84.22 109.65 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.915 -177.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.469 ' OH ' ' SD ' ' A' ' 78' ' ' MET . 50.7 m-85 -75.92 142.96 41.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.495 179.279 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 m -153.67 140.68 19.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.642 -179.216 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 2.9 mm? -76.92 -178.25 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.14 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -160.62 -32.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.501 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -79.75 91.26 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.523 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.406 HD12 HG21 ' A' ' 85' ' ' ILE . 77.8 mt -57.63 -37.27 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.721 -179.755 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -51.48 -64.36 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.623 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.8 t -46.07 -48.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.885 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.61 -51.23 38.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 1.0 110.807 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.7 m -68.05 -42.72 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.363 -178.041 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.3 mmt -41.41 -40.57 1.78 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.566 -0.288 . . . . 1.0 111.531 -177.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.5 mp -78.74 -38.63 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 1.0 110.311 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -52.67 -71.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.098 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -59.08 -30.21 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.353 -177.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.05 -47.19 53.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.957 -0.297 . . . . 1.0 111.11 -178.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.5 mt -74.42 -11.7 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.894 -178.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.521 ' C ' ' H ' ' A' ' 98' ' ' ALA . 2.3 m-70 -82.77 -36.78 25.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.757 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -58.04 -2.82 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.839 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 96' ' ' HIS . . . -76.07 -13.02 60.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.595 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.535 ' N ' HD21 ' A' ' 99' ' ' ASN . 1.4 m120 -52.16 121.99 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.743 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -59.71 149.93 69.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.937 179.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 102' ' ' LYS . 97.1 Cg_endo -75.3 -24.86 11.96 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 121.781 1.654 . . . . 1.0 111.988 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 101' ' ' PRO . 82.4 tttt 60.02 128.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.76 179.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.602 179.894 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.9 m -162.62 -39.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.63 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.73 -45.33 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.438 179.701 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -73.04 -50.92 20.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.713 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tp -44.83 -52.03 8.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 1.0 110.614 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -47.39 -42.74 22.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.792 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -64.67 -32.92 74.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.838 -179.075 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 19.9 t -61.07 -22.99 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 1.0 110.474 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.1 p -79.84 -30.91 40.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.211 178.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.2 -30.73 70.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.387 179.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 59.8 mt -71.57 -49.61 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.65 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -72.07 -39.39 69.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.724 -178.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -66.7 -7.5 21.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.515 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -70.61 -49.43 47.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.493 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' B' ' 23' ' ' LEU . 9.5 mp -56.89 161.04 3.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.093 179.406 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.79 -155.62 7.45 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.087 -0.805 . . . . 1.0 111.087 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -50.13 165.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 1.0 110.859 -179.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -50.82 -46.58 59.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.666 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.4 -29.38 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.671 -179.448 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.515 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 5.1 tpp85 -61.02 -56.33 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.774 -179.165 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 16.8 tt -77.83 -35.72 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.822 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -41.66 -42.92 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.242 -179.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mm -58.68 -50.49 78.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.557 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' MET . . . . . 0.486 ' SD ' ' OG ' ' B' ' 36' ' ' SER . 12.0 tmm? -49.2 -41.35 36.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.923 -179.047 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.04 -43.22 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.824 -179.177 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.422 ' CD1' ' C ' ' B' ' 34' ' ' LEU . 2.7 tm? -73.95 -41.14 62.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.227 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -45.66 93.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.194 0.521 . . . . 1.0 109.82 178.203 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.486 ' OG ' ' SD ' ' B' ' 32' ' ' MET . 74.9 m -46.08 -23.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.556 178.811 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 38' ' ' SER . 41.8 t -108.66 88.58 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.466 179.472 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.428 ' O ' ' O ' ' B' ' 37' ' ' VAL . 20.9 t 57.31 154.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.125 178.572 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 39' ' ' GLU . 5.3 mp0 -93.35 170.58 9.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.616 179.533 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.75 -177.37 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.331 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -60.0 161.6 6.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 1.0 109.87 177.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 t -77.66 -31.23 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.801 -0.359 . . . . 1.0 110.955 -178.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -85.66 -53.24 3.1 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.434 -0.667 . . . . 1.0 111.434 -178.407 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -40.19 -53.72 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.734 0.302 . . . . 1.0 111.478 -178.039 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 67.2 mt -51.52 -29.55 9.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.902 -178.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.695 ' HG ' HE21 ' B' ' 53' ' ' GLN . 8.1 t -69.98 -71.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.922 -178.534 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.472 ' NE2' ' CD ' ' B' ' 53' ' ' GLN . 53.0 m80 -52.49 -49.98 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.137 -178.343 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -47.75 -58.24 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.091 -178.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' B' ' 49' ' ' LEU . 10.3 mp -79.61 13.15 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.236 -177.318 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 60.92 67.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.988 -0.285 . . . . 1.0 111.415 177.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.468 ' O ' ' NE2' ' B' ' 53' ' ' GLN . 27.8 mt -134.52 149.08 50.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.011 177.625 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.428 ' C ' ' H ' ' B' ' 54' ' ' SER . 47.5 t -79.53 120.83 24.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.554 179.479 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.695 HE21 ' HG ' ' B' ' 46' ' ' SER . 20.9 mp0 -63.5 -2.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.05 -178.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.428 ' H ' ' C ' ' B' ' 52' ' ' SER . 27.8 t -83.93 -20.44 32.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.956 -179.066 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -104.47 -31.66 9.37 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.407 -177.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.484 ' CG1' ' H ' ' B' ' 57' ' ' SER . 14.6 p -48.13 -56.25 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.694 -0.402 . . . . 1.0 110.971 -176.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.484 ' H ' ' CG1' ' B' ' 56' ' ' VAL . 75.8 p -39.68 -57.7 1.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.718 0.294 . . . . 1.0 111.536 -178.05 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -58.94 -27.88 65.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.823 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.4 OUTLIER -62.71 -67.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.741 -178.254 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.25 -41.91 80.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.037 -178.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -42.95 -55.77 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.103 -178.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.418 ' O ' ' OG ' ' B' ' 65' ' ' SER . 3.2 tt -54.01 -64.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.409 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' B' ' 63' ' ' LEU . 9.8 mp -47.04 -57.42 5.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.767 -179.152 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -55.28 -27.36 46.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.323 -177.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.459 ' C ' ' H ' ' B' ' 67' ' ' HIS . 27.1 p -76.66 -46.88 24.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.821 0.304 . . . . 1.0 111.821 -176.773 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.7 13.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.788 -0.365 . . . . 1.0 111.839 -175.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' B' ' 65' ' ' SER . 7.9 t-80 68.05 16.61 9.51 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.932 0.345 . . . . 1.0 111.932 176.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tt -83.33 -73.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 177.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.09 138.8 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 1.0 111.305 -178.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -109.35 162.92 13.88 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.939 -0.573 . . . . 1.0 109.734 178.101 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -158.38 137.05 11.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.926 0.393 . . . . 1.0 111.116 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -85.74 135.47 33.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.256 178.389 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -81.11 140.34 35.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.255 -178.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.541 ' C ' ' H ' ' B' ' 76' ' ' GLN . 82.4 mm-40 -136.68 158.79 43.63 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.076 179.377 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.54 0.29 Allowed Glycine 0 CA--C 1.527 0.783 0 C-N-CA 121.356 -0.449 . . . . 1.0 112.04 -177.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.541 ' H ' ' C ' ' B' ' 74' ' ' GLN . 1.0 OUTLIER -170.47 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.048 0.424 . . . . 1.0 110.999 179.264 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.7 t -85.9 -167.27 1.79 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 1.0 110.827 -178.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 51.5 mtt -150.09 107.94 3.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.818 179.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' B' ' 79' ' ' ILE . 1.5 mp -82.6 97.29 4.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.478 -177.109 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -70.77 139.14 50.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.375 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' B' ' 82' ' ' LEU . 9.8 t -152.69 145.89 24.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.82 -178.608 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.443 ' N ' ' HG ' ' B' ' 81' ' ' SER . 0.2 OUTLIER -90.38 118.95 30.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.936 179.62 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -78.87 -57.3 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.589 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.23 93.86 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.586 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 16.2 tt -65.8 -15.43 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -58.38 -53.78 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.809 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.4 t -54.1 -37.3 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.661 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.25 -47.84 68.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.669 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 52.1 p -66.49 -42.23 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.846 -179.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.6 tpt -39.92 -41.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.507 -178.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' B' ' 91' ' ' LEU . 3.1 mm? -76.8 -61.02 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 1.0 110.234 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -39.91 -60.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.513 -178.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -61.88 -28.89 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.341 -0.391 . . . . 1.0 111.291 -178.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.05 -54.58 6.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.276 -177.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.0 pt -72.7 -5.42 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.931 -0.308 . . . . 1.0 111.058 -177.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -89.97 -30.53 17.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 1.0 110.494 179.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' B' ' 99' ' ' ASN . 85.4 t60 -73.48 -23.98 60.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.654 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.38 68.75 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.633 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.53 ' CG ' ' H ' ' B' ' 100' ' ' HIS . 30.3 t-20 -80.57 -162.0 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.426 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.53 ' H ' ' CG ' ' B' ' 99' ' ' ASN . 77.8 t60 -172.59 63.36 0.32 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.538 -0.301 . . . . 1.0 110.714 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.02 -47.65 0.16 Allowed 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.513 2.142 . . . . 1.0 111.95 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -154.68 -78.66 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.296 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.55 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.337 . . . . 3.5499999999999998 110.576 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -46.36 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 2.4300000000000002 110.638 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.666 HD21 HG21 ' B' ' 29' ' ' ILE . 2.9 mt -67.68 -48.75 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 1.9399999999999999 110.624 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -39.45 -33.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 2.6299999999999999 110.598 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 15' ' ' ARG . 2.0 mmm-85 -64.96 -63.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 4.3499999999999996 110.617 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -49.06 -24.81 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 1.6699999999999999 110.586 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.608 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -74.53 -34.54 63.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.54 110.596 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.62 -39.73 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 2.6499999999999999 110.595 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.75 -66.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.5 110.571 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -53.21 -38.93 63.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.1000000000000001 110.634 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' A' ' 17' ' ' THR . 17.1 tttm -62.32 -35.92 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 2.9300000000000002 110.619 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.3 -45.14 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.1200000000000001 110.606 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.7 mt -49.75 158.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 1.8799999999999999 110.582 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.99 -100.05 0.17 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.877 -0.889 . . . . 1.8500000000000001 110.877 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.639 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 78.9 m-20 -80.91 153.24 27.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.318 . . . . 2.8999999999999999 110.622 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.756 ' HD2' ' CG2' ' B' ' 17' ' ' THR . 0.5 OUTLIER -68.04 -51.31 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 4.2999999999999998 110.602 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' TYR . 84.1 m-20 -37.65 -21.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 2.46 110.619 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 1.026 ' NE ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.44 -63.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 4.9699999999999998 110.62 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mt -44.66 -48.02 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.53 110.604 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -49.13 -66.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 3.4300000000000002 110.605 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.67 HD12 ' OE1' ' A' ' 59' ' ' GLN . 11.7 mt -47.55 -46.32 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 1.74 110.592 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.69 -40.19 65.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 2.1299999999999999 110.585 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.21 -56.31 23.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 2.6200000000000001 110.583 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 34' ' ' LEU . 11.7 tp -64.39 -30.89 71.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 1.6899999999999999 110.543 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.476 ' HA ' HD22 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -76.53 -16.92 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 1.8200000000000001 110.606 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.94 15.32 17.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 1.8999999999999999 110.63 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.4 t -135.26 -67.44 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 2.5600000000000001 110.606 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.55 152.68 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 2.9399999999999999 110.578 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.5 127.91 55.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 2.9700000000000002 110.607 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.64 -175.17 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.91000000000000003 110.617 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.589 ' OG ' ' N ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -70.19 -177.92 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 1.54 110.604 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.589 ' N ' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -75.76 -44.2 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.8 110.632 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.78 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -74.23 -72.97 0.96 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.892 -0.883 . . . . 0.85999999999999999 110.892 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.604 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER -21.77 -54.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 2.7799999999999998 110.603 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.815 ' O ' ' HB2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -57.42 -42.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.6699999999999999 110.616 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.78 ' N ' ' O ' ' A' ' 43' ' ' GLY . 1.8 t -71.02 -44.59 65.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 1.9399999999999999 110.629 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -62.69 -71.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 3.21 110.622 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.423 ' C ' ' H ' ' A' ' 50' ' ' ASN . 2.3 mt-30 -50.12 -43.64 51.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 2.52 110.555 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.815 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -78.52 32.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 2.0600000000000001 110.582 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.551 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.2 m-20 26.13 77.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 2.6200000000000001 110.592 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.554 ' O ' ' OG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -154.1 141.28 19.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 1.6699999999999999 110.618 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 54' ' ' SER . 68.1 m -73.68 104.8 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.6100000000000001 110.631 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 1.071 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 4.7 pt20 -44.35 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 2.7799999999999998 110.589 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -54.34 -38.41 66.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 2.0099999999999998 110.62 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.514 ' O ' ' N ' ' A' ' 59' ' ' GLN . 31.9 m-20 -80.88 -47.13 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 2.5699999999999998 110.561 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.071 ' CG2' ' HA ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -39.1 -81.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.3899999999999999 110.625 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' VAL . 0.6 OUTLIER -36.04 -36.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.53 110.627 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 56' ' ' VAL . 3.0 t-80 -77.41 -32.91 55.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 3.2400000000000002 110.593 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.67 ' OE1' HD12 ' A' ' 31' ' ' ILE . 5.7 tt0 -64.78 -75.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 2.1600000000000001 110.63 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.634 HD13 ' CE2' ' A' ' 80' ' ' TYR . 5.3 mt -34.41 -47.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.81999999999999995 110.618 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 60' ' ' LEU . 21.2 tttm -36.21 -62.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 2.2999999999999998 110.578 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.555 ' O ' ' C ' ' A' ' 63' ' ' LEU . 55.9 tp -52.7 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 1.4399999999999999 110.615 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.026 HD11 ' NE ' ' A' ' 28' ' ' ARG . 10.6 mp -26.87 -60.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 1.74 110.632 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.852 ' HE3' ' HB2' ' A' ' 71' ' ' ALA . 23.9 tttt -41.41 -57.63 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 2.52 110.615 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . 13.4 t -59.13 -22.66 61.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 1.6699999999999999 110.614 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.922 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 3.2 t -79.81 -19.92 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.29 110.582 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.922 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER 88.45 3.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 3.3799999999999999 110.603 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.466 ' HA ' HD23 ' A' ' 68' ' ' LEU . 19.1 mt -67.58 -50.48 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.8200000000000001 110.639 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -108.3 160.83 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 1.4299999999999999 110.591 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.678 ' HE2' ' CG ' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -129.94 118.29 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 2.9700000000000002 110.59 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.852 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -76.78 160.5 29.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 1.1799999999999999 110.607 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -141.15 133.23 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 3.27 110.605 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.466 HH11 ' HD3' ' A' ' 73' ' ' ARG . 2.1 mtp180 -109.9 132.93 53.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 4.5300000000000002 110.592 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -164.43 98.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 3.3900000000000001 110.625 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.39 -80.52 0.53 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.893 -0.883 . . . . 3.1400000000000001 110.893 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.49 ' HB3' ' H ' ' A' ' 77' ' ' SER . 1.2 tt0 -140.23 -93.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 5.1500000000000004 110.639 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.49 ' H ' ' HB3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -54.62 157.14 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 2.5899999999999999 110.606 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.472 ' HG3' ' H ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -105.7 120.24 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 2.6200000000000001 110.628 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.6 mt -94.71 117.45 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 1.3400000000000001 110.571 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.644 ' H ' ' HD1' ' A' ' 80' ' ' TYR . 2.4 m-85 -74.01 164.39 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 3.1499999999999999 110.629 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.62 142.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 1.6399999999999999 110.566 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.63 HD23 HG12 ' A' ' 69' ' ' VAL . 24.0 mt -71.38 168.63 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.9399999999999999 110.65 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.678 ' CG ' ' HE2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -129.6 -35.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 2.6000000000000001 110.568 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.718 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -95.44 89.62 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 2.23 110.597 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.5 pt -52.92 -13.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 2.6200000000000001 110.6 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.06 -59.62 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 3.3700000000000001 110.623 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.418 ' H ' HG23 ' A' ' 87' ' ' VAL . 19.1 t -49.8 -45.49 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 1.6000000000000001 110.549 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.13 -49.19 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.97999999999999998 110.619 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -42.36 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.79 110.551 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -50.43 64.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 2.7599999999999998 110.59 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -47.64 82.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 1.74 110.622 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 1.7 tttt -52.85 -39.55 62.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 3.0 110.612 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.92 -43.06 89.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 3.0099999999999998 110.592 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.78 -48.66 79.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 1.02 110.577 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -73.19 -29.52 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 1.78 110.623 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.577 ' HB2' ' O ' ' A' ' 92' ' ' LYS . 0.7 OUTLIER -71.02 -28.13 64.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 2.8799999999999999 110.605 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 3.1400000000000001 110.58 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.755 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.779 0.323 . . . . 2.75 110.59 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.501 ' O ' ' HB2' ' B' ' 15' ' ' ARG . 0.6 OUTLIER -59.42 -67.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 2.1499999999999999 110.605 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.38 -48.2 74.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 1.6499999999999999 110.635 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -45.04 -37.66 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 2.5800000000000001 110.642 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.1 mtm-85 -61.8 -60.62 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 3.8999999999999999 110.578 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.449 HG23 ' H ' ' B' ' 16' ' ' VAL . 0.2 OUTLIER -50.17 -15.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 1.5800000000000001 110.626 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.756 ' CG2' ' HD2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -85.5 -21.31 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 1.6100000000000001 110.618 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.59 -42.02 44.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 2.48 110.607 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.23 -63.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 1.7 110.57 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.461 ' HA ' HD12 ' B' ' 23' ' ' LEU . 61.5 m-85 -55.92 -39.29 71.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.602 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' B' ' 17' ' ' THR . 23.6 tttm -59.89 -39.59 85.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 3.27 110.613 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.402 ' CB ' HG11 ' B' ' 66' ' ' VAL . . . -51.26 -41.52 60.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.613 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.638 ' HA ' ' NH1' ' B' ' 28' ' ' ARG . 13.8 mt -53.9 150.68 7.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 1.8200000000000001 110.608 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.26 -104.2 0.27 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.911 -0.876 . . . . 1.9199999999999999 110.911 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.714 ' OD1' ' N ' ' B' ' 25' ' ' ASP . 0.1 OUTLIER -74.09 144.56 44.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 2.75 110.57 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 1.122 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 0.0 OUTLIER -66.01 -50.19 65.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 4.1900000000000004 110.639 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' B' ' 30' ' ' ARG . 6.7 m-20 -38.78 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 2.9100000000000001 110.613 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.638 ' NH1' ' HA ' ' B' ' 23' ' ' LEU . 22.2 ttm180 -50.47 -50.88 51.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 5.0300000000000002 110.595 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.666 HG21 HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -51.5 -40.68 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 1.54 110.628 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 0.5 OUTLIER -51.37 -60.9 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 3.1899999999999999 110.59 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.457 ' H ' HG13 ' B' ' 31' ' ' ILE . 0.8 OUTLIER -52.53 -44.88 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 1.6100000000000001 110.577 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.18 -44.67 68.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 2.3100000000000001 110.597 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.94 -55.39 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 2.3300000000000001 110.607 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' B' ' 38' ' ' SER . 16.7 tp -60.06 -34.83 73.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 1.6000000000000001 110.605 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.528 ' HA ' HD22 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -67.03 -38.58 86.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 1.6599999999999999 110.638 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -31.05 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 1.8700000000000001 110.618 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.927 ' O ' HG13 ' B' ' 37' ' ' VAL . 1.9 p -146.52 95.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 2.25 110.637 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.692 ' CB ' ' O ' ' B' ' 37' ' ' VAL . 5.9 t 144.84 178.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 2.6299999999999999 110.581 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.496 ' N ' ' OG ' ' B' ' 38' ' ' SER . 9.6 pt-20 -170.63 119.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 2.5099999999999998 110.6 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.04 -172.31 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.82999999999999996 110.562 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.539 ' OG ' ' N ' ' B' ' 42' ' ' VAL . 5.6 t -73.94 -178.51 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 1.46 110.569 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.628 ' O ' HG22 ' B' ' 45' ' ' ILE . 3.6 t -75.82 -47.88 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 1.75 110.619 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.609 ' C ' ' HG ' ' B' ' 46' ' ' SER . . . -75.7 -58.91 3.65 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.866 -0.893 . . . . 0.85999999999999999 110.866 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.505 ' C ' ' O ' ' B' ' 43' ' ' GLY . 0.3 OUTLIER -31.82 -61.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 2.8199999999999998 110.586 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.628 HG22 ' O ' ' B' ' 42' ' ' VAL . 17.0 tt -46.97 -40.79 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 1.71 110.608 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.609 ' HG ' ' C ' ' B' ' 43' ' ' GLY . 0.0 OUTLIER -68.94 -69.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 1.4399999999999999 110.579 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' B' ' 46' ' ' SER . 0.0 OUTLIER -35.73 -66.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 3.0800000000000001 110.587 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.767 ' C ' ' H ' ' B' ' 50' ' ' ASN . 6.8 mt-30 -45.34 -68.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 2.6000000000000001 110.585 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' B' ' 51' ' ' LEU . 75.1 mt -56.81 18.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 2.02 110.559 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.767 ' H ' ' C ' ' B' ' 48' ' ' GLN . 58.1 m-20 42.84 62.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 2.3300000000000001 110.636 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 49' ' ' LEU . 72.0 mt -128.28 146.93 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 1.45 110.627 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.519 ' OG ' ' HB2' ' B' ' 54' ' ' SER . 3.5 t -81.48 109.33 15.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.5700000000000001 110.566 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -46.08 -20.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 2.6400000000000001 110.607 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.519 ' HB2' ' OG ' ' B' ' 52' ' ' SER . 0.2 OUTLIER -56.93 -39.69 74.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 1.9199999999999999 110.622 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.535 ' O ' ' C ' ' B' ' 56' ' ' VAL . 53.1 m-20 -86.5 -56.32 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 2.3799999999999999 110.602 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 1.04 HG12 ' N ' ' B' ' 57' ' ' SER . 1.0 OUTLIER -28.49 -78.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.7 110.616 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . 1.04 ' N ' HG12 ' B' ' 56' ' ' VAL . 0.2 OUTLIER -33.5 -47.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 1.9199999999999999 110.621 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 58' ' ' HIS . . . . . 0.591 ' O ' ' HB2' ' B' ' 61' ' ' LYS . 0.1 OUTLIER -61.74 -50.39 72.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 3.1699999999999999 110.56 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.612 ' O ' ' C ' ' B' ' 60' ' ' LEU . 0.9 OUTLIER -48.07 -84.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 2.29 110.647 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.93 HD13 ' CE2' ' B' ' 80' ' ' TYR . 9.9 mt -20.47 -55.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.89000000000000001 110.62 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' B' ' 58' ' ' HIS . 3.2 mttm -35.37 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 2.9399999999999999 110.573 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.685 ' O ' ' N ' ' B' ' 65' ' ' SER . 1.2 tp -35.32 -84.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 1.5 110.611 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.82 ' H ' HD12 ' B' ' 63' ' ' LEU . 6.6 mp -27.87 -58.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.71 110.634 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -49.94 -40.03 42.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 2.46 110.583 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.685 ' N ' ' O ' ' B' ' 62' ' ' LEU . 0.0 OUTLIER -77.13 -7.42 55.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 1.74 110.591 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.739 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 3.1 t -95.55 -12.08 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 1.27 110.652 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.739 ' HB2' ' O ' ' B' ' 66' ' ' VAL . 0.0 OUTLIER 84.79 6.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 3.2000000000000002 110.623 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' B' ' 68' ' ' LEU . 88.8 mt -76.57 -53.77 7.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 1.5600000000000001 110.607 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.807 ' CG2' ' HB3' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -101.45 163.82 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 1.47 110.596 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.402 ' HD3' ' OD2' ' B' ' 83' ' ' ASP . 19.4 tttt -136.25 135.76 39.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 2.6499999999999999 110.63 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -101.54 157.82 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 1.3600000000000001 110.611 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -142.91 132.48 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 3.4100000000000001 110.584 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -95.29 142.26 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 4.7400000000000002 110.616 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -156.57 91.29 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 4.1200000000000001 110.581 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.95 -68.99 2.46 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.883 -0.887 . . . . 3.2200000000000002 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -149.67 -82.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.329 . . . . 5.0899999999999999 110.636 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.44 152.8 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 2.5499999999999998 110.592 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.65 129.48 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 2.9900000000000002 110.581 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 8.5 mt -109.45 117.78 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 1.5900000000000001 110.649 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.93 ' CE2' HD13 ' B' ' 60' ' ' LEU . 2.0 m-85 -70.67 -174.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 3.8100000000000001 110.604 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' B' ' 80' ' ' TYR . 0.6 OUTLIER 153.39 144.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 1.47 110.549 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.879 HD23 ' N ' ' B' ' 82' ' ' LEU . 1.0 OUTLIER -78.14 155.97 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 2.1899999999999999 110.608 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.402 ' OD2' ' HD3' ' B' ' 70' ' ' LYS . 0.2 OUTLIER -122.23 -14.98 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 2.6600000000000001 110.584 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -112.32 90.33 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 3.0499999999999998 110.641 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 4.3 pt -54.46 -18.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 2.8300000000000001 110.621 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -49.45 -59.71 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 3.2400000000000002 110.599 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 94.2 t -55.92 -40.05 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 1.5800000000000001 110.578 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.24 -53.11 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.1699999999999999 110.543 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 28.5 p -68.52 -41.01 80.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 2.04 110.611 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 6.9 ttt -54.16 -44.39 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 2.71 110.543 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.58 -42.66 98.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 1.8600000000000001 110.55 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -60.35 -42.67 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 3.0899999999999999 110.6 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -61.17 -39.31 89.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 2.7000000000000002 110.636 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.29 88.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.21 110.597 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 78.9 mt -76.71 -33.04 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 1.8999999999999999 110.564 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -62.3 -31.57 72.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 3.0499999999999998 110.613 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 3.6899999999999999 110.586 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.761 0.315 . . . . 1.0 110.412 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 13' ' ' LEU . 11.3 t -73.65 -43.57 59.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.535 ' N ' HG23 ' A' ' 12' ' ' THR . 0.2 OUTLIER -48.71 -51.05 30.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.497 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -47.87 -43.06 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.507 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -56.39 -41.61 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.441 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 t -65.63 -23.47 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.377 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.0 m -84.2 -14.32 50.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.203 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -77.85 -39.66 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.59 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 pt -63.8 -38.14 81.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.534 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -74.57 -42.26 59.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.21 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.514 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 2.5 ttmp? -62.35 -33.99 75.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.664 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -44.19 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.6 mt -45.67 145.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.73 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.97 160.97 34.71 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 59.51 165.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 1.0 110.73 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' C ' ' H ' ' A' ' 28' ' ' ARG . 19.4 m-85 -100.3 -47.14 5.04 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.284 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -62.83 3.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.626 -0.715 . . . . 1.0 111.29 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 26' ' ' TYR . 62.9 ttt-85 -70.67 -18.54 62.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.795 0.331 . . . . 1.0 110.536 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.4 mt -83.15 -67.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.033 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -52.1 -46.19 65.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.36 -177.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.515 HG23 ' N ' ' A' ' 32' ' ' MET . 7.3 tt -52.53 -45.18 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.748 -0.381 . . . . 1.0 110.518 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.515 ' N ' HG23 ' A' ' 31' ' ' ILE . 20.6 mmt -63.13 -33.93 76.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.513 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -51.34 -68.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.813 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.6 tp -60.18 -35.13 74.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.992 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -67.17 -35.7 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.093 0.473 . . . . 1.0 109.769 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.6 t -55.58 -18.6 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.625 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.99 71.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.143 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 t -173.44 162.58 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 1.0 110.983 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 18.0 mp0 -143.84 114.3 7.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.737 -0.665 . . . . 1.0 109.682 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.6 -177.52 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 1.0 110.886 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 t -75.38 -179.28 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.454 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -83.68 -35.13 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.767 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.3 -40.11 8.07 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.107 -0.797 . . . . 1.0 111.107 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -49.9 -46.9 52.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.653 0.263 . . . . 1.0 111.089 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.6 pt -69.08 -25.78 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.98 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.6 t -67.78 -76.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.328 . . . . 1.0 110.919 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -49.23 -47.2 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.172 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -49.08 -55.8 11.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.13 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.78 13.45 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.203 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 60.98 62.72 1.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.78 0.324 . . . . 1.0 110.817 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.5 mt -134.2 147.72 50.78 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.081 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 54' ' ' SER . 48.9 m -77.94 107.56 10.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.188 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -61.75 -2.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.05 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 52' ' ' SER . 52.1 m -80.56 -16.76 53.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.783 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 56' ' ' VAL . 18.9 p30 -105.06 -31.96 8.94 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.487 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.645 HG23 ' N ' ' A' ' 57' ' ' SER . 19.9 m -56.75 -58.87 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.405 -0.518 . . . . 1.0 110.972 -176.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.645 ' N ' HG23 ' A' ' 56' ' ' VAL . 58.3 m -42.95 -42.27 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.803 0.335 . . . . 1.0 111.111 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.77 -26.77 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.449 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' VAL . 22.6 tt0 -68.28 -50.96 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.816 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.8 -42.14 83.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 1.0 110.596 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 61' ' ' LYS . 10.6 ttmm -45.2 -54.74 6.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.892 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.8 tp -52.17 -72.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.305 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.0 mp -41.99 -56.15 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.873 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.606 ' HZ1' ' H ' ' A' ' 71' ' ' ALA . 41.1 tptt -45.09 -30.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.845 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 m -80.97 -32.2 34.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.226 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.83 0.84 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.033 -0.267 . . . . 1.0 110.951 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.4 t60 65.43 16.1 10.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.711 -0.222 . . . . 1.0 111.573 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.8 mt -92.77 -6.02 49.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.714 0.292 . . . . 1.0 110.4 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.6 t -149.89 142.18 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.634 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 81' ' ' SER . 32.2 ttpt -133.63 166.54 22.36 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.884 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.606 ' H ' ' HZ1' ' A' ' 64' ' ' LYS . . . -143.29 131.79 22.31 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.893 0.378 . . . . 1.0 110.577 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -82.12 142.28 32.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.708 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -100.58 103.66 14.97 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.218 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -109.41 103.03 11.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.141 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -129.69 39.1 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.17 -39.37 15.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.85 0.357 . . . . 1.0 110.38 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 78' ' ' MET . 42.9 t -69.41 -167.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.993 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.476 ' N ' ' OG ' ' A' ' 77' ' ' SER . 20.5 ptt? -165.38 154.43 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.472 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.7 mt -145.93 116.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.292 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -77.16 155.39 32.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.756 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 70' ' ' LYS . 78.4 p -170.23 156.66 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.617 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 83' ' ' ASP . 2.5 tp -74.28 -157.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 82' ' ' LEU . 5.1 m-20 -160.67 -66.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 1.0 110.559 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 7.2 p-10 -69.61 99.2 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.732 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.1 tt -61.59 -9.48 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.426 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -59.23 -55.06 39.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.264 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 88' ' ' ALA . 7.9 p -67.52 -44.95 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.153 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.535 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -41.88 -61.64 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 1.0 111.243 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 90' ' ' MET . 5.7 t -64.14 -41.71 97.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.64 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.464 ' N ' HG23 ' A' ' 89' ' ' THR . 24.1 ttt -45.04 -32.36 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.815 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.495 HD23 ' C ' ' A' ' 91' ' ' LEU . 3.7 tt -72.4 -61.05 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 1.0 109.999 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -53.95 -31.9 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.546 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.04 -28.68 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.276 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.58 70.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.27 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 95' ' ' ILE . 96.1 mt -89.29 -8.52 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.427 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -82.54 -39.4 22.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.75 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.712 -179.292 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 4.0 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 1.0 110.574 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 56.5 p -63.64 -56.08 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.754 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.35 -35.28 77.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.493 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.79 -25.57 41.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.862 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -66.43 -56.19 12.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.788 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.66 -16.05 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.482 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.3 m -72.6 -33.47 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.215 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.17 -36.73 80.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.488 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.5 mt -54.9 -58.14 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -64.55 -44.16 91.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.785 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -54.0 -23.76 14.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.571 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.31 90.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.596 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 mt -54.64 146.97 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.37 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.33 -75.9 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.95 170.13 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 1.0 110.749 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.402 ' C ' ' H ' ' B' ' 28' ' ' ARG . 27.8 m-85 -99.75 -44.39 6.11 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.044 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -68.3 3.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' B' ' 26' ' ' TYR . 66.4 ttp85 -57.9 -45.82 85.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.698 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.503 HG23 ' N ' ' B' ' 30' ' ' ARG . 13.2 tt -68.62 -45.07 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.665 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.503 ' N ' HG23 ' B' ' 29' ' ' ILE . 22.2 mmt85 -43.41 -62.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.056 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.5 pt -61.82 -35.65 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.011 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' B' ' 32' ' ' MET . 1.3 tmt? -59.77 -49.09 79.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.602 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -49.38 -57.31 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.763 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 tp -56.49 -34.19 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.992 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.53 HD23 ' O ' ' B' ' 35' ' ' LEU . 0.8 OUTLIER -69.37 -34.67 74.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.99 0.424 . . . . 1.0 110.216 -178.187 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.8 m -46.16 -14.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.941 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' B' ' 35' ' ' LEU . 4.2 p -172.53 84.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.353 0.597 . . . . 1.0 110.511 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 39.1 m -169.83 -172.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.861 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -173.67 111.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.172 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.2 -177.15 5.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.684 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.1 t -77.67 -172.72 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.567 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 38.4 t -86.95 -39.72 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.736 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -82.77 -11.15 82.11 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.29 -0.724 . . . . 1.0 111.29 -178.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -73.11 -69.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 1.0 110.896 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.53 -24.71 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.971 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 58.5 p -66.94 -78.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.015 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -53.86 -46.62 71.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.944 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -42.31 -60.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.455 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.06 22.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.486 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 57.4 66.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 1.0 110.84 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -133.55 145.11 49.81 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.483 ' C ' ' H ' ' B' ' 54' ' ' SER . 88.7 p -82.61 133.07 35.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.326 . . . . 1.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -67.25 8.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.922 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.483 ' H ' ' C ' ' B' ' 52' ' ' SER . 52.7 p -73.99 -50.34 20.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 1.0 110.541 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' B' ' 57' ' ' SER . 37.1 m-20 -73.92 -33.49 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.468 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.46 ' O ' HG12 ' B' ' 56' ' ' VAL . 31.9 t -55.1 -2.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.624 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' B' ' 58' ' ' HIS . 32.0 p -89.51 -60.42 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.062 0.458 . . . . 1.0 110.039 176.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' HIS . . . . . 0.477 ' N ' ' OG ' ' B' ' 57' ' ' SER . 27.5 t-80 -79.08 -10.06 59.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.924 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -61.8 -78.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.42 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.68 -38.46 67.0 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.974 -0.29 . . . . 1.0 110.948 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -45.08 -61.01 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.819 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.13 -66.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.558 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.473 ' N ' HD12 ' B' ' 63' ' ' LEU . 8.8 mp -41.42 -56.95 2.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.928 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -55.22 -24.4 27.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.49 -0.323 . . . . 1.0 111.287 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.489 ' C ' ' H ' ' B' ' 67' ' ' HIS . 6.9 m -81.86 -51.69 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.615 -0.266 . . . . 1.0 111.463 -177.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.452 ' H ' HG22 ' B' ' 66' ' ' VAL . 3.7 m -65.44 10.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.975 -0.29 . . . . 1.0 111.504 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' B' ' 65' ' ' SER . 6.6 t-80 64.81 15.67 9.98 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.044 0.387 . . . . 1.0 112.044 176.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 64.8 mt -91.58 -3.72 56.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.577 0.227 . . . . 1.0 110.601 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.405 HG12 ' N ' ' B' ' 70' ' ' LYS . 83.8 t -154.31 152.69 9.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.877 0.37 . . . . 1.0 110.395 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.405 ' N ' HG12 ' B' ' 69' ' ' VAL . 88.8 mttt -137.61 -176.39 4.39 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.884 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -165.64 147.26 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.595 -0.442 . . . . 1.0 111.433 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -89.14 136.63 32.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.202 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -135.49 87.15 2.3 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.146 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -160.25 64.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.153 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 151.34 90.45 0.08 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.555 -1.018 . . . . 1.0 110.555 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 42.26 -87.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 1.0 111.761 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 75' ' ' GLY . 81.0 p -64.76 -167.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.401 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.427 ' C ' HD12 ' B' ' 79' ' ' ILE . 4.9 ttt -148.58 107.29 3.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 1.0 109.606 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.723 ' N ' HD12 ' B' ' 79' ' ' ILE . 1.6 mp -92.62 103.75 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.616 -176.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -63.37 157.86 22.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 1.0 110.526 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 58.0 m -160.85 -169.43 2.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.516 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.515 HD23 ' N ' ' B' ' 83' ' ' ASP . 1.1 tt -151.43 114.4 4.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.913 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.515 ' N ' HD23 ' B' ' 82' ' ' LEU . 6.7 m-20 -67.45 -59.11 3.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.478 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 84' ' ' ASP . 1.2 m-20 -44.46 139.7 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 1.0 111.008 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -111.25 -21.75 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.448 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -73.15 -35.59 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.535 HG13 ' N ' ' B' ' 88' ' ' ALA . 10.5 p -62.14 -44.62 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.582 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.535 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -56.38 -46.46 80.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.84 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 65.5 p -71.99 -45.69 60.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.4 ttt -46.49 -31.53 2.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.467 HD23 ' C ' ' B' ' 91' ' ' LEU . 3.3 tt -73.0 -59.73 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.01 -0.367 . . . . 1.0 110.01 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -51.63 -30.17 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.443 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.48 -31.63 72.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.359 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.11 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.366 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.45 HG22 ' O ' ' B' ' 95' ' ' ILE . 89.0 mt -73.15 -9.77 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.438 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -79.41 -36.46 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.59 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.419 -179.756 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.525 ' N ' ' OE1' ' A' ' 14' ' ' GLU . 22.5 p-10 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.71 0.29 . . . . 1.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 p -82.82 -60.58 2.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.984 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.16 -26.41 62.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.855 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 11' ' ' ASP . 12.4 mp0 -58.53 -14.86 9.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.596 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -79.47 -61.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.497 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.526 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 35.8 m -62.37 -16.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.508 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -72.14 -47.61 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.619 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -56.88 -33.83 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.733 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 19' ' ' ILE . 17.7 mt -59.99 -63.52 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.876 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 24.8 m-85 -56.5 -43.02 79.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.012 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -54.7 -37.59 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.384 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.77 73.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.723 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.96 159.83 27.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 1.0 110.555 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.622 ' N ' ' NH1' ' A' ' 28' ' ' ARG . . . -173.72 -82.08 0.05 OUTLIER Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 27' ' ' ASN . 62.4 t0 -73.24 114.8 11.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.84 0.352 . . . . 1.0 110.424 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -61.0 0.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.993 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' A' ' 25' ' ' ASP . 14.7 t30 -85.99 -12.23 50.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 1.0 110.598 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.622 ' NH1' ' N ' ' A' ' 24' ' ' GLY . 96.4 mtt180 -65.5 -54.08 33.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.984 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.548 HG23 ' N ' ' A' ' 30' ' ' ARG . 16.9 tt -45.24 -47.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.623 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.548 ' N ' HG23 ' A' ' 29' ' ' ILE . 63.0 ttt180 -42.03 -72.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.323 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 pt -61.03 -38.28 79.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.922 -178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.3 ttt -48.52 -45.3 37.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 1.0 110.475 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -60.42 -42.49 96.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.724 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.606 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -53.05 -34.81 58.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.973 0.416 . . . . 1.0 110.032 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.68 -37.62 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.418 . . . . 1.0 109.996 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 t -74.18 3.01 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.258 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.8 t -134.33 70.49 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.274 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m 63.58 113.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.946 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -66.93 170.84 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.656 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -177.59 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.528 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.424 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 8.9 p -64.28 165.18 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.386 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 43' ' ' GLY . 11.8 m -75.77 -37.03 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.27 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 46' ' ' SER . . . -80.66 -72.24 1.23 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.579 -0.609 . . . . 1.0 111.579 -178.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -39.11 -53.87 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.626 0.25 . . . . 1.0 111.56 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' A' ' 41' ' ' SER . 17.8 tt -45.37 -33.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.826 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.426 ' OG ' ' OE1' ' A' ' 53' ' ' GLN . 55.0 p -81.79 -55.86 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.16 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -48.53 -50.24 32.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.025 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -60.46 -51.29 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.81 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -70.4 0.7 6.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.056 -178.478 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 62.23 77.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.765 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.6 tp -148.05 147.18 29.29 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.875 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 54' ' ' SER . 16.9 m -80.46 123.19 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.913 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' OE1' ' OG ' ' A' ' 46' ' ' SER . 16.7 mm100 -64.14 -1.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.681 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 52' ' ' SER . 29.3 t -67.78 -48.56 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.685 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -81.93 -35.23 29.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.063 -178.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.4 t -40.45 -77.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.425 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.9 m -37.24 -49.09 0.91 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.928 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -75.5 -24.94 56.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.871 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 56' ' ' VAL . 10.1 tt0 -68.0 -58.35 4.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.008 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 63' ' ' LEU . 12.5 mt -50.41 -47.24 56.59 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.009 -0.276 . . . . 1.0 110.709 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -37.91 -56.58 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.636 -178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.415 ' O ' ' OG ' ' A' ' 65' ' ' SER . 36.3 tp -56.32 -32.14 64.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.606 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' LEU . 12.0 mt -74.78 -54.48 7.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.956 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -70.16 -0.45 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.106 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 62' ' ' LEU . 94.7 p -79.0 -56.68 4.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 1.0 110.94 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 m -94.6 35.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.644 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.1 t60 60.19 22.47 11.81 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.912 0.338 . . . . 1.0 111.912 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -72.39 -18.95 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.709 -0.397 . . . . 1.0 110.075 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.4 m -152.29 149.29 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.276 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -96.66 124.37 40.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.449 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.84 160.68 17.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.616 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -152.63 131.6 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.226 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.535 ' CZ ' ' SD ' ' A' ' 78' ' ' MET . 81.3 mtt180 -137.91 121.63 17.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.472 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -160.5 78.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.236 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.82 -64.23 0.42 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.245 -1.142 . . . . 1.0 110.245 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -172.64 -62.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 1.0 110.336 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.2 m -63.33 -167.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.502 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.535 ' SD ' ' CZ ' ' A' ' 73' ' ' ARG . 41.5 mtt -144.17 99.1 3.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.505 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 72.5 mt -87.57 103.65 13.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.626 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -97.75 145.56 26.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.217 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.6 t -159.64 -178.28 6.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.738 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.88 -158.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.562 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -172.74 -41.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.402 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 48.2 t0 -65.04 157.8 27.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.417 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 24.2 pt -111.11 -16.48 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.425 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -79.07 -59.47 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.929 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 88' ' ' ALA . 11.6 p -44.07 -42.17 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.12 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.512 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -69.45 -38.92 77.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.964 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -75.5 -34.29 60.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.804 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 30.6 ttm -62.44 -30.74 71.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.771 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.4 mt -77.23 -48.14 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 1.0 110.479 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -42.21 -72.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.467 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -58.69 -29.17 66.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.632 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.5 -60.09 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.801 -0.36 . . . . 1.0 111.218 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.5 pt -77.66 -2.56 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.165 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -78.68 -35.11 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 1.0 110.326 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.837 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.805 0.336 . . . . 1.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.6 m -59.91 -46.87 87.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.74 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.461 HD23 ' O ' ' B' ' 13' ' ' LEU . 2.0 tt -66.31 -39.23 89.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.969 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -53.66 -37.19 62.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.162 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -58.28 -55.8 30.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.051 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.4 m -67.09 -17.03 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.989 0.423 . . . . 1.0 110.521 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -78.37 -15.96 58.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.619 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -81.97 -49.77 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.928 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 pt -49.49 -43.57 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.879 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -69.32 -45.35 69.7 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.347 -0.541 . . . . 1.0 110.546 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -49.87 -18.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.51 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.54 -35.62 75.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.555 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.13 152.09 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.47 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -169.07 -100.17 0.13 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.744 -0.942 . . . . 1.0 110.744 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -61.74 109.3 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.789 0.328 . . . . 1.0 110.57 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -72.07 4.43 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.847 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -80.6 -7.82 59.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.437 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -70.82 -35.57 72.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.82 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -43.47 -59.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.95 0.405 . . . . 1.0 110.832 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -41.83 -68.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.405 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.7 pt -63.0 -26.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.166 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' B' ' 32' ' ' MET . 10.9 tmm? -67.4 -42.77 82.76 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.39 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.89 -36.5 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.52 -37.4 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.421 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.533 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -72.66 -31.61 65.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 1.0 109.981 -179.064 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -41.07 -21.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.016 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.6 p -164.15 69.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.695 0.76 . . . . 1.0 109.944 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -172.95 160.46 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.396 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -145.12 125.97 14.39 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.28 177.34 9.69 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.774 -0.37 . . . . 1.0 110.97 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -74.25 175.74 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.333 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.451 HG23 ' N ' ' B' ' 43' ' ' GLY . 24.2 m -79.63 -37.97 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.624 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.451 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -83.01 -43.72 7.45 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.129 -0.788 . . . . 1.0 111.129 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -44.26 -47.49 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 1.0 111.021 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -65.61 -25.53 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.884 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -66.35 -44.95 81.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.934 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.51 -49.59 46.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.037 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.63 -61.48 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.033 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.47 HD23 ' O ' ' B' ' 49' ' ' LEU . 0.7 OUTLIER -65.8 -6.74 12.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.127 -178.348 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 m120 62.59 80.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 1.0 110.677 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.431 ' CD2' HD22 ' B' ' 55' ' ' ASN . 6.8 tp -152.73 148.77 27.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.923 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.4 p -82.96 121.82 27.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.79 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' B' ' 56' ' ' VAL . 27.2 tp60 -49.03 -47.56 44.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.425 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 69.9 m -31.95 -38.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.709 -0.678 . . . . 1.0 112.252 -177.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.729 HD21 ' N ' ' B' ' 56' ' ' VAL . 0.5 OUTLIER -87.72 -41.83 13.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.612 0.244 . . . . 1.0 110.695 179.393 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.729 ' N ' HD21 ' B' ' 55' ' ' ASN . 77.0 t -39.44 -80.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.737 0.303 . . . . 1.0 111.336 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 39.3 t -40.1 -33.41 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.383 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' HIS . . . . . 0.53 ' N ' ' ND1' ' B' ' 58' ' ' HIS . 0.2 OUTLIER -82.83 -28.27 30.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.036 -179.468 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' B' ' 56' ' ' VAL . 11.9 mm-40 -67.2 -51.48 52.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.606 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.26 -43.76 92.45 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.82 -0.352 . . . . 1.0 110.593 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -43.94 -49.14 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.007 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.07 -51.44 70.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.89 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.531 ' N ' HD12 ' B' ' 63' ' ' LEU . 10.1 mp -67.18 -66.97 0.49 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.797 0.332 . . . . 1.0 110.662 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -23.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.182 -177.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -84.09 8.19 16.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.519 -0.309 . . . . 1.0 111.393 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.576 ' O ' HG12 ' B' ' 66' ' ' VAL . 43.5 t -132.32 15.07 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.717 0.294 . . . . 1.0 110.442 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 65.42 20.11 11.71 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.877 0.325 . . . . 1.0 111.877 175.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 41.5 mt -90.93 -18.11 25.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.639 0.257 . . . . 1.0 110.706 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -147.17 114.94 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.356 . . . . 1.0 110.72 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -96.27 153.0 18.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.926 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.77 -178.6 4.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.489 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -151.37 135.93 17.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.395 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -84.99 118.95 24.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.919 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.45 118.18 17.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.079 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.79 2.31 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -165.88 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 1.0 110.044 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' B' ' 78' ' ' MET . 29.4 t -66.66 -167.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.98 177.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.502 ' N ' ' OG ' ' B' ' 77' ' ' SER . 3.7 ptt? -155.54 99.13 2.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.055 0.455 . . . . 1.0 109.786 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.75 134.2 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.807 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.457 ' CE2' HD23 ' B' ' 35' ' ' LEU . 31.0 p90 -93.64 151.19 19.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.647 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.7 m -156.21 150.34 25.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.563 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' B' ' 84' ' ' ASP . 13.3 mt -76.65 -62.02 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.651 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 69.45 -13.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 82' ' ' LEU . 13.2 m-20 -78.97 105.55 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.717 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 5.7 tp -76.09 -22.54 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.493 ' O ' ' SD ' ' B' ' 90' ' ' MET . 40.0 t-80 -64.15 -69.66 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.711 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 34.8 t -51.78 -30.65 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.92 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.3 80.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.84 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 34.3 m -77.44 -52.89 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.885 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' B' ' 90' ' ' MET . 0.0 OUTLIER -44.81 -32.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.835 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 21.4 mt -78.07 -46.22 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 1.0 110.607 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -47.84 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.046 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.483 ' O ' ' ND1' ' B' ' 97' ' ' HIS . 91.0 mt-30 -47.84 -34.54 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.138 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.92 -55.0 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.036 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.445 HG22 ' O ' ' B' ' 95' ' ' ILE . 68.6 mt -76.96 -8.83 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.595 -178.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -74.46 -41.41 60.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.014 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' B' ' 93' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.663 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.568 0.223 . . . . 1.0 111.17 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.4 p -64.28 -40.29 95.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 1.0 110.634 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.4 tt -66.58 -43.23 85.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.19 0.519 . . . . 1.0 109.9 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -43.89 -52.68 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.085 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -51.02 -36.87 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.939 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.7 t -68.91 -22.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 1.0 110.644 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.8 p -79.65 -15.43 57.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.051 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -79.74 -36.44 37.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.26 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -60.19 -54.88 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.372 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' O ' HD11 ' A' ' 23' ' ' LEU . 60.8 m-85 -55.93 -42.04 75.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.741 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -78.98 -13.98 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.922 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.12 -58.81 6.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.919 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD11 ' O ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -61.78 -175.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.575 -179.215 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.15 -104.62 0.2 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.0 127.42 31.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 1.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 41.1 p90 -41.01 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.318 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.568 ' ND2' ' CZ ' ' A' ' 26' ' ' TYR . 53.6 m-80 -58.13 -4.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.533 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.476 ' H ' ' C ' ' A' ' 26' ' ' TYR . 14.8 tpp180 -69.39 -28.63 66.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.724 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.8 mm -76.11 -58.87 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.694 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -44.7 -71.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.055 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.528 HG23 ' N ' ' A' ' 32' ' ' MET . 17.3 tt -43.2 -42.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.367 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.528 ' N ' HG23 ' A' ' 31' ' ' ILE . 26.1 ttt -59.16 -35.49 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.532 -0.304 . . . . 1.0 110.963 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -65.01 -33.02 75.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.911 -0.315 . . . . 1.0 110.591 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.558 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -78.01 -42.44 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.439 . . . . 1.0 110.153 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' VAL . 36.0 tp -61.33 -29.71 70.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.142 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.4 t -44.87 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.771 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' LEU . 52.6 t -85.74 -47.46 16.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.304 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t 62.78 78.57 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -172.24 50.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.578 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.07 169.46 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 1.0 110.895 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -81.79 -175.38 5.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.175 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -74.44 -37.06 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.94 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.19 -50.83 2.34 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.211 -0.755 . . . . 1.0 111.211 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -46.93 -33.03 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 1.0 111.068 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.6 tt -74.53 -21.2 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.065 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 t -79.39 -45.92 18.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.037 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.502 ' C ' ' H ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -63.18 -51.6 65.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.868 -178.645 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -70.52 12.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.725 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 47' ' ' HIS . 36.2 tp -132.89 -12.47 2.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.255 -0.43 . . . . 1.0 109.985 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.69 85.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.184 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.664 HD13 ' H ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -158.88 146.49 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.287 -0.634 . . . . 1.0 109.287 -178.23 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.664 ' H ' HD13 ' A' ' 51' ' ' LEU . 57.9 m -74.21 114.92 13.11 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.263 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.575 ' CD ' ' H ' ' A' ' 53' ' ' GLN . 26.5 mp0 -56.84 -3.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.993 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 52' ' ' SER . 23.1 t -81.9 -19.78 40.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.729 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -97.45 -42.45 7.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.264 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.679 HG23 ' N ' ' A' ' 57' ' ' SER . 30.9 m -44.99 -62.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.807 -0.357 . . . . 1.0 111.144 -176.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.679 ' N ' HG23 ' A' ' 56' ' ' VAL . 8.6 t -47.1 -39.27 12.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.807 0.337 . . . . 1.0 110.907 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -70.94 -32.5 69.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.077 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.56 -51.67 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.291 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 14.2 mt -54.07 -57.56 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.544 -0.298 . . . . 1.0 111.548 -177.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -39.39 -65.32 0.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 1.0 111.581 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -57.86 -46.38 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.666 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.15 -37.99 84.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.504 -175.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' A' ' 70' ' ' LYS . 67.8 mttm -80.17 -38.14 31.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.318 . . . . 1.0 111.005 -178.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 67' ' ' HIS . 11.6 t -52.92 -43.54 66.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.357 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 66' ' ' VAL . 4.4 m -60.51 0.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.002 -177.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' A' ' 65' ' ' SER . 7.4 t-80 73.66 15.91 3.96 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.27 0.356 . . . . 1.0 111.9 176.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.5 mt -81.79 -74.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 1.0 110.13 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.4 t -76.55 149.5 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.946 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.517 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 97.0 mttt -111.96 -176.01 2.83 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.134 -0.484 . . . . 1.0 109.959 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.97 152.03 14.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 1.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -141.06 159.45 42.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.648 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 ptt85 -133.44 127.8 34.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.999 0.428 . . . . 1.0 110.547 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -159.57 68.53 0.41 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.177 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.63 -78.89 0.2 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.316 -1.114 . . . . 1.0 110.316 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -155.77 -72.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.1 m -62.69 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.642 . . . . 1.0 109.928 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.8 mtt -125.79 112.33 15.92 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.786 0.327 . . . . 1.0 110.458 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.1 mm -85.19 92.87 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.309 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -67.54 152.88 44.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.635 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.8 t -171.09 138.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.006 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -88.95 -172.18 3.59 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.912 -0.403 . . . . 1.0 109.912 178.846 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 17.2 p-10 -127.69 -49.96 1.37 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.231 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' A' ' 86' ' ' HIS . 21.8 m-20 -74.84 82.58 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.474 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -61.53 -0.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.54 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' A' ' 84' ' ' ASP . 7.5 t60 -68.01 -44.8 75.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.0 t -55.88 -48.91 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.673 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.44 -53.24 11.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.2 p -68.94 -45.07 71.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.548 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.2 ttt -47.0 -30.32 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.637 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 91' ' ' LEU . 2.8 tt -71.4 -65.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.953 -0.388 . . . . 1.0 109.953 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -47.69 -42.52 25.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.374 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -53.31 -32.37 48.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.271 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.28 -45.45 47.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.502 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.2 mm -69.73 -5.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.268 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -84.2 -67.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.71 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.811 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.754 0.311 . . . . 1.0 110.418 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -58.73 -35.14 72.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.668 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -72.49 -36.3 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.556 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -50.79 -26.51 5.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.333 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mmm-85 -73.34 -42.55 62.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.358 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 5.2 t -66.04 -22.93 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.387 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 75.9 m -84.26 -19.11 34.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.616 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.38 -31.12 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.879 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 pt -72.05 -38.3 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.844 -0.342 . . . . 1.0 110.663 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.424 ' O ' HD11 ' B' ' 23' ' ' LEU . 44.8 m-85 -64.44 -39.87 94.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.416 -0.514 . . . . 1.0 110.233 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -81.28 -9.33 59.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.91 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.58 -58.38 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.003 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.427 ' C ' HD12 ' B' ' 23' ' ' LEU . 0.3 OUTLIER -68.77 -171.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.498 -178.816 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.54 -75.52 0.04 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.25 -179.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 1.0 110.724 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.441 ' C ' ' H ' ' B' ' 28' ' ' ARG . 16.7 m-85 -99.99 -47.03 5.15 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.01 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -64.63 3.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.78 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' B' ' 26' ' ' TYR . 2.2 tmt_? -58.25 -29.86 66.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.165 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' B' ' 32' ' ' MET . 16.1 mt -81.73 -46.13 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.8 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 -42.36 -46.43 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.08 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.8 pt -74.72 -29.35 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.538 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' ILE . 20.9 ttt -64.66 -46.37 82.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.851 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.59 -21.37 65.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.832 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -78.06 -39.45 41.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.685 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.455 ' C ' ' N ' ' B' ' 37' ' ' VAL . 35.9 mt -67.11 -27.15 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.704 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -46.88 -17.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 1.0 110.224 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.455 ' N ' ' C ' ' B' ' 35' ' ' LEU . 5.4 p -171.63 77.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.581 -0.736 . . . . 1.0 109.808 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 33.9 t -172.42 178.81 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.561 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -178.34 132.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.224 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.25 -177.72 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.861 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.419 ' O ' HG22 ' B' ' 45' ' ' ILE . 24.5 m -77.4 176.53 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.325 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.5 t -75.14 -39.94 43.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.009 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.64 -55.74 2.5 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -43.48 -49.52 7.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.769 0.319 . . . . 1.0 111.134 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.419 HG22 ' O ' ' B' ' 41' ' ' SER . 14.7 tt -55.53 -25.49 17.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.906 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -74.49 -65.06 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.162 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.4 ' NE2' ' OE1' ' B' ' 53' ' ' GLN . 34.5 m80 -52.0 -48.51 64.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.153 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.58 -50.65 62.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.784 -177.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 mt -80.65 8.58 7.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.226 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 59.31 53.64 5.19 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.765 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 33.4 mt -129.63 154.66 46.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.244 -0.435 . . . . 1.0 109.965 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.7 t -79.94 116.54 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.568 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.4 ' OE1' ' NE2' ' B' ' 47' ' ' HIS . 51.7 mt-30 -42.91 -55.78 3.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.997 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' B' ' 55' ' ' ASN . 82.8 p -44.16 -64.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.888 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.427 ' N ' ' OG ' ' B' ' 54' ' ' SER . 64.0 t30 -53.74 -50.71 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.516 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.5 t -50.12 -68.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.392 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.5 p -45.83 -47.49 15.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.778 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -60.58 -26.31 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.724 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -71.56 -48.64 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.865 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 mt -55.79 -41.02 73.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 1.0 110.587 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -46.64 -57.82 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.461 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 tp -47.76 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.386 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.615 ' H ' HD12 ' B' ' 63' ' ' LEU . 9.2 mp -42.36 -51.62 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.891 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -43.68 -53.0 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.152 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.512 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 10.6 m -64.5 -29.5 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.233 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.458 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 25.9 t -81.54 -6.99 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.754 -178.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' B' ' 65' ' ' SER . 1.2 m170 75.73 20.59 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.635 177.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 26.2 mt -83.98 -9.24 58.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.142 -0.223 . . . . 1.0 110.731 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -152.53 139.0 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.014 0.435 . . . . 1.0 111.053 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -98.62 168.67 10.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.788 -0.642 . . . . 1.0 109.765 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -149.18 116.52 6.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.822 0.344 . . . . 1.0 110.724 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -82.14 134.86 35.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.47 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -78.04 117.24 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.726 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -142.37 103.0 4.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.528 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 -145.56 37.37 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -62.87 -61.81 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.672 0.273 . . . . 1.0 111.048 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 66.5 m -85.26 -167.6 1.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.876 0.37 . . . . 1.0 110.982 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.8 mtt -141.47 132.94 26.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.25 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.3 mt -83.11 120.31 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.714 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -78.1 132.52 37.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.559 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -164.18 132.56 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.705 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.414 ' C ' HD12 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -80.17 -168.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.057 179.242 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -154.19 -31.01 0.11 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.626 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' B' ' 84' ' ' ASP . 1.2 p30 -70.8 88.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.43 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.0 pt -76.69 2.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -64.92 -45.67 84.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.588 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.418 ' H ' HG12 ' B' ' 87' ' ' VAL . 4.0 p -71.87 -29.19 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.587 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.26 97.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.656 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 27.7 p -73.35 -40.42 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.611 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 77.4 mtp -63.53 -20.62 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.486 HD23 ' C ' ' B' ' 91' ' ' LEU . 3.2 tt -72.44 -64.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.186 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 96' ' ' HIS . 75.4 mttt -50.37 -60.53 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.68 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -41.28 -37.64 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.202 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.87 -59.0 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.839 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 23.5 pt -81.24 -1.76 5.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.217 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' B' ' 92' ' ' LYS . 58.7 t-80 -81.09 -27.58 35.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 1.0 110.478 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.638 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.662 0.268 . . . . 1.0 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 12' ' ' THR . 0.1 OUTLIER -60.48 -36.0 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.669 -179.633 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' O ' HG22 ' A' ' 16' ' ' VAL . 6.2 tp -62.0 -40.33 95.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.455 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -50.7 -21.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.898 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -66.42 -60.4 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.077 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 13' ' ' LEU . 9.6 m -57.9 -15.67 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.569 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -78.82 -26.72 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.242 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -77.19 -43.11 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.285 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.407 ' H ' HG12 ' A' ' 19' ' ' ILE . 12.3 pt -58.89 -38.18 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.92 -0.312 . . . . 1.0 111.254 -177.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -71.27 -35.89 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.18 -0.608 . . . . 1.0 109.92 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -53.04 -28.1 22.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.737 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.51 96.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.773 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 3.5 mm? -51.82 130.27 28.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.043 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -172.85 128.43 1.53 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 0.5 OUTLIER 58.29 119.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 1.0 110.806 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.461 ' C ' ' N ' ' A' ' 28' ' ' ARG . 12.3 p90 -50.95 -34.0 26.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.538 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -45.22 -18.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.1 0.476 . . . . 1.0 110.442 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' N ' ' C ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -60.12 -54.03 50.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.332 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mt -62.44 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -43.09 -73.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.819 0.342 . . . . 1.0 111.101 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.52 HG23 ' N ' ' A' ' 32' ' ' MET . 14.0 tt -52.16 -46.23 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.618 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.52 ' N ' HG23 ' A' ' 31' ' ' ILE . 3.0 tpt -46.05 -35.05 4.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.041 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.65 -32.58 65.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.473 -0.33 . . . . 1.0 111.02 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.2 tp -74.24 -40.2 62.56 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.499 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.475 ' C ' ' N ' ' A' ' 37' ' ' VAL . 49.1 mt -61.96 -25.74 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t -45.06 -17.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 1.0 110.645 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.475 ' N ' ' C ' ' A' ' 35' ' ' LEU . 73.7 t -82.59 -46.59 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.039 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' LEU . 3.9 p 79.69 48.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.839 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -171.49 81.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.845 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.55 128.18 5.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.628 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.3 t -56.68 156.96 5.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.224 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.78 -40.39 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.039 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.46 -48.86 9.92 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.511 -0.636 . . . . 1.0 111.511 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -42.68 -42.28 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.71 0.291 . . . . 1.0 111.145 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 mm -49.44 -39.68 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.717 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 47' ' ' HIS . 86.6 p -71.9 -70.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.91 0.386 . . . . 1.0 111.282 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.666 ' CE1' HE21 ' A' ' 53' ' ' GLN . 29.0 m-70 -55.94 -51.59 67.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.404 -177.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -57.99 -57.92 10.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.373 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -73.9 3.44 6.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.73 -176.549 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 60.37 61.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.89 -0.324 . . . . 1.0 111.279 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.6 mt -134.32 155.45 50.21 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.48 ' C ' ' H ' ' A' ' 54' ' ' SER . 10.3 t -79.86 127.5 32.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.661 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.666 HE21 ' CE1' ' A' ' 47' ' ' HIS . 22.2 mp0 -52.8 -5.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.537 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 52' ' ' SER . 20.0 m -85.91 -24.39 26.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 1.0 110.372 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -84.66 -50.4 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.166 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.75 HG23 ' H ' ' A' ' 57' ' ' SER . 26.8 m -53.72 -64.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.916 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.75 ' H ' HG23 ' A' ' 56' ' ' VAL . 7.0 t -40.29 -48.63 2.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.328 . . . . 1.0 111.379 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -71.6 -27.33 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.493 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 56' ' ' VAL . 4.4 tp-100 -63.8 -66.62 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.991 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -47.42 -38.89 14.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.644 0.259 . . . . 1.0 111.184 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -44.55 -62.86 1.04 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.722 0.296 . . . . 1.0 110.837 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.79 -64.84 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.372 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 mt -37.05 -51.22 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.834 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -59.2 -38.13 79.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.546 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 67' ' ' HIS . 29.7 p -70.76 -52.99 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.504 -0.317 . . . . 1.0 111.579 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.1 m -53.76 -4.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.66 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' A' ' 65' ' ' SER . 10.8 t-80 72.63 16.14 4.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.747 0.277 . . . . 1.0 111.747 177.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.34 -79.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.163 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 m -74.59 155.7 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 1.0 110.813 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -129.77 146.5 51.52 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.202 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.67 163.41 15.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -151.34 143.54 24.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.412 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.3 ptt85 -139.4 106.25 5.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.963 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -158.43 83.86 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.418 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.73 -170.24 45.73 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.371 -1.091 . . . . 1.0 110.371 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 40.89 -99.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 1.0 111.095 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 m -162.13 -170.48 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 58.7 mtm -67.59 118.46 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.37 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 82.8 mt -132.96 117.05 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.215 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -91.07 141.32 28.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.588 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.0 t -159.62 179.08 9.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.535 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.35 -158.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.534 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -169.13 -58.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.423 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.2 111.44 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.455 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.3 tt -67.11 -23.53 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.663 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -68.21 -57.71 5.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.77 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.2 t -51.71 -37.88 20.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.877 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.65 -41.98 87.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.719 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.404 ' H ' ' HG1' ' A' ' 89' ' ' THR . 22.2 p -73.79 -50.27 21.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.592 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 93.4 mtp -44.29 -29.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.97 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.472 HD23 ' C ' ' A' ' 91' ' ' LEU . 2.3 tt -74.18 -60.33 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.077 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -47.14 -61.08 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.535 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -43.99 -39.83 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.066 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -61.69 -63.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.977 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 95' ' ' ILE . 19.5 pt -74.62 -1.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.126 -178.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -75.37 -41.28 56.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 1.0 110.458 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.7 t60 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.688 -179.734 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.719 0.295 . . . . 1.0 110.795 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.1 m -79.59 -58.07 3.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.812 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 21.5 mt -79.05 -13.99 59.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.813 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -55.07 -35.39 64.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.497 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -67.43 -50.06 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.382 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.48 -20.63 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.383 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.9 m -80.54 -25.95 38.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.218 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -66.34 -28.56 68.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.417 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 40.3 mt -74.31 -58.5 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.494 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -64.39 -45.19 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.757 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -50.63 -41.01 54.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.47 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.22 70.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.43 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.541 HD23 ' N ' ' B' ' 24' ' ' GLY . 2.1 tt -45.5 125.42 5.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.314 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.541 ' N ' HD23 ' B' ' 23' ' ' LEU . . . -159.83 124.48 1.35 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.14 -0.784 . . . . 1.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' B' ' 27' ' ' ASN . 9.4 m-20 57.17 114.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 1.0 110.656 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -58.31 -3.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.475 ' H ' ' C ' ' B' ' 25' ' ' ASP . 27.8 m-20 -62.89 -17.62 61.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.684 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -61.02 -56.6 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.722 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mm -45.09 -51.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.476 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -45.7 -52.24 11.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.577 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' B' ' 34' ' ' LEU . 83.4 mt -67.07 -62.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.465 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 64.5 mmm -44.35 -32.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.819 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -74.5 -31.44 62.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.82 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.507 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -72.1 -38.01 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.279 -178.749 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.47 -45.57 75.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.887 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 51.5 p -46.12 -24.04 0.39 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.794 0.331 . . . . 1.0 110.539 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -78.14 -41.84 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.652 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.511 ' OG ' ' N ' ' B' ' 39' ' ' GLU . 12.3 t -177.64 -113.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.782 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.511 ' N ' ' OG ' ' B' ' 38' ' ' SER . 8.5 pt-20 -166.29 165.47 17.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 1.0 110.464 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.21 176.02 11.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.588 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -69.83 164.21 24.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.592 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.508 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.8 p -63.37 -42.34 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 1.0 111.384 -178.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.508 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -84.66 -66.77 1.45 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.961 -0.456 . . . . 1.0 111.961 -177.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -39.57 -48.89 2.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.677 0.251 . . . . 1.0 111.677 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 tt -44.81 -32.12 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.963 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -75.46 -42.14 53.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.236 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -59.22 -54.46 46.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.16 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -66.05 -44.55 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.151 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.25 -9.46 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 1.0 110.515 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 67.2 69.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.227 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -140.54 149.01 41.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.043 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.478 ' C ' ' H ' ' B' ' 54' ' ' SER . 17.4 t -77.94 116.74 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.254 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.66 -3.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.444 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.478 ' H ' ' C ' ' B' ' 52' ' ' SER . 8.3 t -76.73 -42.11 42.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 1.0 110.494 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' B' ' 59' ' ' GLN . 1.5 m-20 -87.26 -36.41 17.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.78 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' B' ' 59' ' ' GLN . 92.2 t -43.24 -76.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.325 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -43.4 -47.64 6.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.048 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -65.44 -29.35 70.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.612 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 55' ' ' ASN . 5.3 tp-100 -66.86 -59.38 3.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.785 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' B' ' 60' ' ' LEU . 39.6 mt -44.11 -33.7 1.57 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.839 0.352 . . . . 1.0 110.858 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -51.58 -52.32 48.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.733 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.19 -27.44 69.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.358 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 63' ' ' LEU . 3.4 mm? -76.15 -46.65 27.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.621 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.495 ' C ' ' H ' ' B' ' 66' ' ' VAL . 58.2 tttm -75.02 -37.77 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.394 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -58.8 0.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.506 -0.315 . . . . 1.0 111.556 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.495 ' H ' ' C ' ' B' ' 64' ' ' LYS . 2.5 t -133.8 15.44 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.665 0.269 . . . . 1.0 110.724 -178.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.4 m170 62.23 15.93 7.96 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.195 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 68' ' ' LEU . 0.8 OUTLIER -76.51 -21.91 55.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.115 0.483 . . . . 1.0 109.765 179.515 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -150.46 144.18 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.437 ' CD ' ' N ' ' B' ' 70' ' ' LYS . 3.2 mptp? -96.33 154.91 17.0 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -149.06 100.42 3.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.253 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.428 ' CB ' ' NZ ' ' B' ' 72' ' ' LYS . 2.1 ttmp? -155.35 152.75 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.323 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -82.1 163.25 22.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.744 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -156.09 66.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.905 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.21 27.41 61.98 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.624 -0.59 . . . . 1.0 111.624 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -153.53 -81.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.684 0.278 . . . . 1.0 110.429 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 73.3 p -166.81 -169.46 1.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 21.5 mmt -64.95 119.65 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.363 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 79' ' ' ILE . 14.4 tt -145.95 124.82 5.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.878 0.37 . . . . 1.0 110.482 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 15.8 p90 -112.72 145.73 39.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.754 -178.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.9 p -160.85 174.23 14.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.725 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.582 ' N ' HD12 ' B' ' 82' ' ' LEU . 7.0 mp -87.76 120.62 29.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.278 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -85.71 -45.59 11.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -77.8 100.56 6.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.801 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 14.0 mm -61.59 -32.05 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.523 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -45.8 -46.29 15.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.702 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.6 -47.21 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.758 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.42 -62.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.096 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 18.6 m -60.72 -39.56 89.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.017 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 21.4 ttt -45.26 -35.01 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.933 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 94' ' ' ALA . 13.6 mt -74.23 -61.35 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.55 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' B' ' 96' ' ' HIS . 0.9 OUTLIER -45.8 -33.25 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 1.0 110.317 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.51 -30.78 70.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.695 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -73.71 -45.56 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.98 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.673 ' N ' HD12 ' B' ' 95' ' ' ILE . 1.9 mp -73.49 -7.85 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.514 -0.312 . . . . 1.0 110.23 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' B' ' 92' ' ' LYS . 1.9 m-70 -86.29 -47.39 9.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.516 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.452 -179.815 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.739 0.304 . . . . 1.0 110.706 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.6 m -68.62 -60.18 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.728 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.6 mt -72.84 -20.05 61.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.465 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.01 -35.56 62.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.577 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -75.66 -41.16 54.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.77 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.42 -26.75 27.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.602 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -79.68 -28.88 40.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.131 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.91 -37.54 87.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.164 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.46 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 69.8 mt -61.84 -61.21 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.49 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -62.75 -45.16 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.653 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.31 -17.07 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.652 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -67.33 -44.04 80.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.591 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' ' CD1' ' B' ' 20' ' ' PHE . 13.9 mt -55.49 163.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.477 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.561 ' H ' ' NE ' ' A' ' 28' ' ' ARG . . . -173.42 -83.58 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.712 ' H ' HH21 ' A' ' 28' ' ' ARG . 64.4 m-20 -61.37 178.65 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 1.0 110.597 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -100.27 -49.63 4.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.465 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -69.34 3.24 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.209 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.712 HH21 ' H ' ' A' ' 25' ' ' ASP . 4.2 ptp180 -60.98 -32.52 72.08 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.842 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.549 HG23 ' N ' ' A' ' 30' ' ' ARG . 16.1 tt -83.03 -45.67 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.952 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.549 ' N ' HG23 ' A' ' 29' ' ' ILE . 36.9 mtm180 -38.32 -41.56 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.541 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.91 -53.56 25.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.452 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.6 mtp -46.18 -32.44 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.791 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' OG ' ' A' ' 36' ' ' SER . 43.8 mt-10 -66.34 -74.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.771 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.3 tp -49.0 -30.71 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.613 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 38' ' ' SER . 11.0 tp -70.21 -54.77 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.631 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 24.7 p -45.34 -23.56 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.75 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.17 -35.38 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.911 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 35' ' ' LEU . 17.2 m -165.61 -138.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.839 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.7 166.68 31.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.421 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.17 -177.92 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.648 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -71.92 168.75 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.7 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 t -65.37 -52.45 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.384 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.99 -43.61 8.11 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.228 -0.511 . . . . 1.0 111.88 -176.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -45.54 -28.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.369 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.4 mt -77.88 -25.37 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.973 -0.291 . . . . 1.0 110.993 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' GLY . 3.5 m -68.91 -51.13 43.2 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.95 -0.3 . . . . 1.0 111.372 -177.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -70.7 -50.35 37.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.249 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -61.71 -46.42 89.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.396 . . . . 1.0 111.136 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 tp -76.89 -1.69 29.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 1.0 110.821 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.55 65.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.946 0.403 . . . . 1.0 110.421 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tp -144.57 153.39 41.76 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.253 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 54' ' ' SER . 13.9 t -82.23 124.63 30.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.807 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -61.04 1.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.427 -0.351 . . . . 1.0 111.212 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 52' ' ' SER . 53.6 p -88.62 -26.08 22.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 1.0 110.338 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -86.33 -41.8 14.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.186 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.644 HG23 ' H ' ' A' ' 57' ' ' SER . 29.2 m -42.56 -59.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.202 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.644 ' H ' HG23 ' A' ' 56' ' ' VAL . 23.2 m -39.62 -64.89 0.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.726 0.298 . . . . 1.0 111.39 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -61.15 -30.97 70.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.577 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.62 HE22 ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -62.18 -67.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.612 -178.888 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.42 -47.02 85.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.85 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -44.5 -53.73 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.827 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.9 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.558 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.62 ' CD1' HE22 ' A' ' 59' ' ' GLN . 27.1 mt -44.55 -53.65 6.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.92 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -47.4 -49.43 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.042 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.2 m -61.44 -36.01 79.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.188 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 66' ' ' VAL . 33.4 t -77.87 -3.59 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.682 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 71.41 15.91 6.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.56 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.5 mt -79.96 -13.68 59.16 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.001 -0.37 . . . . 1.0 110.001 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.7 t -148.58 132.33 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.182 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -96.67 -172.47 2.5 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.512 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.08 108.09 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.404 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -75.05 138.85 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.562 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -109.86 90.54 3.34 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.74 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.65 113.51 25.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 38.06 53.36 2.08 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.859 -0.496 . . . . 1.0 111.859 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 67.78 77.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 1.0 110.648 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 t -169.45 104.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.59 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 33.0 mtt -81.98 110.09 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.665 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.52 116.22 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.887 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -73.41 126.13 29.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.85 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.5 m -151.28 142.12 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.662 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.1 tp -90.85 114.06 26.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.313 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.79 -37.77 67.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.559 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 4.5 m-20 -82.35 87.58 6.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.661 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 85' ' ' ILE . 70.6 mt -77.56 -11.28 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.423 ' ND1' ' N ' ' A' ' 86' ' ' HIS . 2.3 m-70 -61.68 -54.4 43.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.978 -179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.05 -26.8 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.308 . . . . 1.0 110.643 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 85' ' ' ILE . . . -55.43 -48.07 75.01 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.137 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.6 m -63.59 -37.1 86.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 90' ' ' MET . 10.8 tmm? -46.59 -35.38 5.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.691 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 91' ' ' LEU . 3.3 mm? -72.84 -55.95 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.955 -0.387 . . . . 1.0 109.955 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -41.35 -47.72 3.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -66.55 -32.19 73.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.662 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -68.0 -51.69 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.761 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.8 mm -63.61 -11.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.655 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.493 ' C ' ' HD1' ' A' ' 96' ' ' HIS . 4.7 t-80 -83.45 -41.46 18.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.504 -0.317 . . . . 1.0 110.568 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.48 ' O ' ' ND1' ' A' ' 97' ' ' HIS . 1.5 t60 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.493 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.845 0.355 . . . . 1.0 110.736 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.9 m -70.84 -34.31 71.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.78 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 tp -58.86 -45.42 90.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.347 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -46.98 -50.4 19.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.736 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -51.26 -37.42 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.32 -22.16 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.533 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.7 m -79.89 -24.59 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.354 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' B' ' 22' ' ' ALA . 20.0 tp10 -70.07 -35.62 74.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.555 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.0 mt -64.57 -58.22 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.682 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.458 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 65.0 m-85 -65.82 -41.84 91.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.876 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -65.39 -33.04 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.857 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' B' ' 18' ' ' GLU . . . -59.05 -44.32 91.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.595 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tp -47.12 149.87 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.476 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.522 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -167.83 133.46 2.9 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' B' ' 24' ' ' GLY . 46.2 t0 57.97 117.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 1.0 110.709 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -56.69 -20.98 24.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.758 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.438 ' OD1' ' NH2' ' B' ' 30' ' ' ARG . 55.9 t30 -59.29 -15.52 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.701 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.522 ' NH1' ' O ' ' B' ' 24' ' ' GLY . 0.0 OUTLIER -66.9 -35.3 79.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.539 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.95 -52.71 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.438 ' NH2' ' OD1' ' B' ' 27' ' ' ASN . 57.7 ttp180 -42.21 -46.09 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.062 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.38 -51.8 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.55 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 23.8 ttt -45.95 -31.71 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.766 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.98 -55.24 11.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.732 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.75 -37.72 85.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.36 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.4 tp -65.09 -21.57 66.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.332 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.7 t -77.92 -12.92 60.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.497 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.417 ' O ' ' OG ' ' B' ' 38' ' ' SER . 45.4 t -83.92 -40.66 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.63 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 59.7 m -167.22 -121.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.658 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.04 171.22 11.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 1.0 110.621 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.15 -178.16 6.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.438 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.482 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 9.5 p -70.76 165.95 21.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.495 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -66.31 -38.35 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.093 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -86.03 -57.67 2.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.478 -0.649 . . . . 1.0 111.478 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.482 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 0.2 OUTLIER -40.67 -48.72 2.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.812 0.339 . . . . 1.0 111.167 -178.394 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.435 HG22 ' O ' ' B' ' 41' ' ' SER . 15.5 tt -57.59 -33.99 46.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.44 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.482 ' N ' ' O ' ' B' ' 43' ' ' GLY . 10.1 m -71.2 -73.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.39 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -47.42 -47.82 26.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.141 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -51.83 -51.56 55.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.04 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.4 mt -83.4 10.09 9.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.417 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 66.8 t30 59.73 67.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 1.0 110.952 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.428 HD21 ' NH2' ' B' ' 30' ' ' ARG . 83.2 mt -138.54 149.17 45.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.989 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.463 ' C ' ' H ' ' B' ' 54' ' ' SER . 15.1 t -78.65 116.82 19.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.442 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -58.35 -2.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.02 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.463 ' H ' ' C ' ' B' ' 52' ' ' SER . 30.5 t -86.23 -28.02 24.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.51 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.68 -44.22 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.999 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.626 HG23 ' N ' ' B' ' 57' ' ' SER . 21.2 m -43.74 -55.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.118 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.626 ' N ' HG23 ' B' ' 56' ' ' VAL . 73.4 m -40.15 -38.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.304 . . . . 1.0 111.288 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -80.6 -29.33 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.783 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' B' ' 56' ' ' VAL . 82.0 mt-30 -62.36 -72.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.451 -0.34 . . . . 1.0 111.148 -178.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.4 -50.13 63.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.034 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -44.04 -63.7 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.332 -0.394 . . . . 1.0 111.091 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 tp -40.4 -52.42 2.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.534 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.57 ' N ' HD12 ' B' ' 63' ' ' LEU . 7.4 mp -66.78 -42.98 85.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.659 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.18 -17.79 63.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.942 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.4 m -81.35 -44.24 17.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.268 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.465 ' H ' HG22 ' B' ' 66' ' ' VAL . 3.9 m -76.36 12.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.055 -0.258 . . . . 1.0 111.285 -177.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 8.6 m80 70.06 17.05 7.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.325 0.491 . . . . 1.0 112.325 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.22 -83.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.586 -0.446 . . . . 1.0 110.044 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 m -78.0 160.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.793 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -130.21 -164.95 1.47 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.081 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -163.89 -165.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.97 0.415 . . . . 1.0 110.712 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -146.17 135.83 23.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.194 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -78.07 118.69 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.806 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -140.81 103.69 4.55 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.31 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.86 -134.69 46.65 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.44 ' N ' ' CD ' ' B' ' 76' ' ' GLN . 3.6 mp0 -87.23 -15.31 38.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.771 0.32 . . . . 1.0 110.703 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.507 ' OG ' ' N ' ' B' ' 78' ' ' MET . 14.3 t -101.72 -174.85 2.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.31 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.527 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -154.35 119.02 4.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.977 0.418 . . . . 1.0 109.964 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.7 mm -82.68 110.74 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.94 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -74.88 138.92 42.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.434 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.4 p -157.76 160.6 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.632 HD22 ' N ' ' B' ' 82' ' ' LEU . 2.8 mm? -81.1 -167.71 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.968 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -157.15 -61.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.34 103.15 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.58 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.58 -20.18 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.598 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.456 ' N ' ' ND1' ' B' ' 86' ' ' HIS . 1.3 m80 -50.75 -40.76 55.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.647 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.3 t -78.11 -47.29 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.843 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.95 -51.34 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.862 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 12.3 t -70.86 -33.87 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.876 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' MET . . . . . 0.449 ' SD ' ' O ' ' B' ' 90' ' ' MET . 1.6 tmt? -57.45 -27.98 62.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.502 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 33.4 tp -80.15 -34.49 37.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.062 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -59.35 -60.59 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.767 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -55.94 -28.07 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.714 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.64 -49.35 63.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.95 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.474 HG22 ' O ' ' B' ' 95' ' ' ILE . 86.4 mt -77.51 -8.81 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.989 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -81.64 -40.03 23.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 1.0 110.601 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.639 -179.647 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.886 0.375 . . . . 1.0 110.357 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -108.35 -53.07 2.68 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.817 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 tp -69.6 -31.75 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.347 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 17' ' ' THR . 76.6 tt0 -54.6 -14.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.732 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -77.09 -59.12 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.952 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.416 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 23.5 m -61.39 -15.5 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.774 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 33.5 p -78.5 -39.17 38.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.545 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.05 -26.44 68.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.587 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.62 -67.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.812 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 20.0 m-85 -56.34 -42.27 77.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.356 . . . . 1.0 111.022 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -57.84 -33.26 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.721 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.58 88.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.731 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -55.38 157.99 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.5 -91.94 0.08 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.776 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 70.3 m-20 -57.76 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.317 . . . . 1.0 110.502 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.428 ' C ' ' H ' ' A' ' 28' ' ' ARG . 34.2 t80 -99.81 -44.34 6.11 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.344 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -64.67 3.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.388 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.776 ' HE ' ' H ' ' A' ' 25' ' ' ASP . 34.8 mmt180 -50.62 -55.2 17.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 1.0 110.92 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.77 -33.02 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.478 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -47.04 -73.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.909 -0.317 . . . . 1.0 111.086 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 pt -54.72 -37.98 41.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.881 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.3 ttt -53.92 -31.59 50.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.634 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.47 -25.86 59.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.986 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 tp -77.34 -41.9 38.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.886 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.77 -24.82 66.24 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.66 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.509 ' O ' HG13 ' A' ' 37' ' ' VAL . 17.8 p -64.21 -21.57 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.793 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 36' ' ' SER . 15.6 m -160.05 55.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.765 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.6 m 163.26 98.66 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.161 -0.311 . . . . 1.0 110.161 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -84.84 152.86 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.204 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.25 179.69 7.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 1.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.5 p -83.02 -173.34 4.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.366 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.2 t -78.44 -38.17 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.106 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.27 -60.62 2.35 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.313 -0.715 . . . . 1.0 111.313 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -43.08 -55.37 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.712 0.292 . . . . 1.0 111.081 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 46' ' ' SER . 20.2 tt -53.82 -35.3 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.316 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 45' ' ' ILE . 9.2 t -76.29 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.028 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -52.09 -50.15 62.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.05 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' ASN . 30.7 mt-30 -55.69 -62.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.03 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.4 mp -65.01 6.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.908 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.469 ' H ' ' C ' ' A' ' 48' ' ' GLN . 5.2 m120 62.14 31.24 17.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.547 0.213 . . . . 1.0 111.506 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 mt -103.52 150.84 23.53 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 54' ' ' SER . 43.2 m -78.16 111.59 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.497 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -56.16 -5.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 52' ' ' SER . 7.8 t -78.88 -42.27 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.416 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.64 -36.7 32.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.583 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 59' ' ' GLN . 98.0 t -46.0 -64.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.685 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 p -43.09 -45.6 5.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.927 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -70.84 -32.16 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.361 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 56' ' ' VAL . 7.9 tt0 -64.05 -59.53 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.817 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.78 -39.01 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.722 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -45.67 -60.85 1.97 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.515 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 tp -46.7 -66.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.548 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.9 mp -45.11 -51.81 9.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.632 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -52.83 -61.46 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.802 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 t -53.88 -30.6 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.496 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 66' ' ' VAL . 68.4 t -79.92 -6.36 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.732 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 70.17 19.33 6.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.943 0.401 . . . . 1.0 110.762 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -82.25 -0.67 46.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.14 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -155.19 148.94 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.38 . . . . 1.0 110.829 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -104.98 122.12 45.17 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.241 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 170.07 11.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.877 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -154.96 134.8 12.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.431 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -90.99 114.67 27.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 76' ' ' GLN . 41.0 mt-30 -139.2 133.95 32.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.906 0.384 . . . . 1.0 110.699 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.35 -73.65 0.09 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.202 -0.759 . . . . 1.0 111.202 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 74' ' ' GLN . 47.5 tt0 -157.67 -56.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 78' ' ' MET . 37.8 t -63.49 -167.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.639 . . . . 1.0 109.549 177.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -131.31 101.71 5.67 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.0 mm -75.77 111.26 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.699 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -76.52 140.16 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.516 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.4 p -152.99 147.92 26.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.543 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -70.98 -167.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.678 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -160.09 -34.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.395 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.85 141.53 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.555 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.2 mm -103.5 -19.34 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.407 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 89' ' ' THR . 7.2 m170 -79.48 -41.33 27.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.983 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.1 t -43.56 -37.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.119 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.04 -29.72 43.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.772 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 86' ' ' HIS . 86.4 m -78.26 -45.0 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.07 -178.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.6 ptm -69.65 -25.76 64.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.076 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.5 tp -71.1 -64.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 1.0 110.351 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -47.62 -30.4 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.147 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -63.27 -33.84 76.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.59 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 -41.25 76.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.377 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.725 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -78.9 -9.0 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.913 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -77.52 -31.98 53.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.553 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.663 -179.909 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.604 0.24 . . . . 1.0 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -71.27 -70.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 1.0 110.728 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.5 HD23 ' O ' ' B' ' 13' ' ' LEU . 1.7 tt -48.74 -52.06 25.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.251 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' B' ' 17' ' ' THR . 32.9 mt-10 -47.33 -55.15 9.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.744 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -46.74 -41.29 14.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.759 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 -22.53 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.011 0.434 . . . . 1.0 110.493 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.421 ' N ' ' O ' ' B' ' 14' ' ' GLU . 15.5 m -85.48 -14.16 46.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.492 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -81.34 -34.29 31.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.755 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.473 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 13.1 pt -69.12 -37.76 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.753 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -67.57 -44.78 77.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.156 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -65.98 -16.68 64.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.026 0.441 . . . . 1.0 110.23 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -61.09 -47.31 86.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.769 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.571 ' N ' HD12 ' B' ' 23' ' ' LEU . 9.7 mp -49.74 164.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.059 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.71 -99.73 0.14 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.73 -0.948 . . . . 1.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.24 114.24 10.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.277 . . . . 1.0 110.264 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -51.96 -16.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.397 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -77.97 -12.08 59.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 1.0 110.956 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -65.87 -23.27 66.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.858 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 91.2 mt -77.39 -49.05 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.762 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -41.33 -43.73 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.153 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 87.3 mt -58.89 -44.7 91.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.607 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 34.1 tpp -59.35 -29.43 67.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.553 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.428 ' O ' HG23 ' B' ' 37' ' ' VAL . 51.3 tt0 -66.24 -30.53 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.969 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 tp -94.15 -37.37 11.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.859 0.361 . . . . 1.0 110.499 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -69.69 -45.38 68.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.481 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 47.6 t -58.27 -25.08 61.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.914 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 33' ' ' GLU . 99.0 t -75.66 -30.36 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.543 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 39.3 t -168.52 -119.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.64 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -170.22 162.3 8.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.829 0.347 . . . . 1.0 110.501 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.74 -177.99 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.53 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.524 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 3.3 p -68.52 162.97 24.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.285 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.468 HG13 ' N ' ' B' ' 43' ' ' GLY . 9.0 p -68.01 -40.33 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.116 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.468 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -81.46 -48.65 5.83 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.601 -0.6 . . . . 1.0 111.601 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.524 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 0.3 OUTLIER -42.78 -37.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.607 0.241 . . . . 1.0 111.328 -177.656 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -69.74 -30.68 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.511 -0.313 . . . . 1.0 111.288 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 88.2 p -72.44 -59.1 2.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.445 -0.343 . . . . 1.0 111.4 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -68.64 -53.64 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.307 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -51.43 -48.97 62.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.925 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.04 11.24 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.889 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.514 ' O ' ' ND2' ' B' ' 50' ' ' ASN . 0.2 OUTLIER 62.66 51.28 3.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.625 177.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -126.24 153.31 44.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.036 0.446 . . . . 1.0 110.305 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.497 ' C ' ' H ' ' B' ' 54' ' ' SER . 36.2 p -79.37 120.0 23.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.179 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.56 1.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.425 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.497 ' H ' ' C ' ' B' ' 52' ' ' SER . 8.6 t -82.87 -25.6 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.692 0.282 . . . . 1.0 110.867 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -100.41 -29.02 12.63 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.512 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.678 HG13 ' N ' ' B' ' 57' ' ' SER . 10.8 p -45.27 -62.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.052 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.678 ' N ' HG13 ' B' ' 56' ' ' VAL . 5.7 m -43.08 -36.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 1.0 111.159 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -71.6 -31.03 66.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.95 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' B' ' 56' ' ' VAL . 25.3 mm100 -63.02 -71.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.111 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' B' ' 60' ' ' LEU . 14.1 mt -44.62 -54.27 6.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.51 -0.314 . . . . 1.0 111.168 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -41.71 -56.69 2.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 1.0 111.104 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.408 ' C ' HD23 ' B' ' 62' ' ' LEU . 1.1 tt -54.25 -67.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.343 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 17.7 mt -45.75 -51.04 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.065 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -46.59 -69.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.044 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.444 ' C ' ' N ' ' B' ' 67' ' ' HIS . 52.1 p -43.83 -55.09 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.279 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.401 HG12 ' O ' ' B' ' 66' ' ' VAL . 26.6 t -53.02 -8.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.718 -177.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.444 ' N ' ' C ' ' B' ' 65' ' ' SER . 18.1 t60 71.43 18.5 5.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.451 177.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.06 -15.85 59.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.72 135.09 17.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.26 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -96.48 156.74 16.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.205 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.65 160.37 17.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.467 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.89 118.04 12.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.862 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.528 ' O ' ' NE ' ' B' ' 73' ' ' ARG . 3.0 tmm_? -109.08 81.13 1.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.123 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' B' ' 75' ' ' GLY . 12.9 tm0? -106.37 96.51 6.52 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.568 -0.901 . . . . 1.0 108.568 176.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 74' ' ' GLN . . . 61.72 125.4 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 109.733 -1.347 . . . . 1.0 109.733 -175.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' B' ' 75' ' ' GLY . 9.3 tt0 -29.23 95.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.436 0.532 . . . . 1.0 112.436 -176.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -178.05 111.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.208 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.7 mpt? -59.42 106.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.041 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 93.3 mt -134.21 118.87 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -99.64 139.61 35.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.713 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -155.48 158.83 39.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.709 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.582 ' N ' HD12 ' B' ' 82' ' ' LEU . 7.1 mp -81.79 -173.2 4.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.247 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -161.27 -47.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.515 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' B' ' 85' ' ' ILE . 48.8 t0 -52.66 157.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.55 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.459 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 17.6 pt -110.72 -8.65 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.195 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -79.39 -41.74 27.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.797 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.01 -52.83 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.767 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.65 -48.78 66.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.057 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 36.9 p -74.35 -52.68 11.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.873 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 25.1 ttt -40.44 -40.64 1.25 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.481 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -70.76 -53.23 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 1.0 110.455 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.526 ' O ' ' CD2' ' B' ' 96' ' ' HIS . 53.7 mttp -54.49 -45.38 73.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.748 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -52.96 -37.77 61.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.872 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.74 -46.54 62.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.962 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.47 HG22 ' O ' ' B' ' 95' ' ' ILE . 92.7 mt -78.48 -8.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.951 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' B' ' 92' ' ' LYS . 21.2 m170 -82.15 -37.04 26.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 1.0 110.325 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.527 179.888 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.808 0.337 . . . . 1.0 110.634 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 p -80.72 -63.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.701 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' O ' ' OG1' ' A' ' 17' ' ' THR . 13.9 mt -72.56 -36.31 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.801 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.86 -54.0 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.959 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -47.4 -52.3 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.961 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.36 -10.78 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.23 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 13' ' ' LEU . 6.4 m -70.75 -22.32 62.42 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.159 -0.617 . . . . 1.0 109.857 178.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -86.89 -56.23 3.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.409 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 20' ' ' PHE . 13.4 tt -46.89 -48.77 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.854 -0.338 . . . . 1.0 111.541 -175.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.56 ' N ' HG23 ' A' ' 19' ' ' ILE . 49.1 m-85 -69.92 -40.62 75.44 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.683 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -71.05 -7.32 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 1.0 110.606 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' A' ' 24' ' ' GLY . . . -84.83 -41.98 15.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.365 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.497 ' C ' HD12 ' A' ' 23' ' ' LEU . 1.8 pp -72.78 25.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.903 -0.319 . . . . 1.0 111.457 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 22' ' ' ALA . . . -65.72 67.79 0.12 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.217 -0.753 . . . . 1.0 111.217 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.52 ' OD2' ' N ' ' A' ' 28' ' ' ARG . 26.0 t70 -173.58 86.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 1.0 110.38 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -55.44 -18.05 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.246 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -82.19 -17.29 46.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 1.0 110.779 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.52 ' N ' ' OD2' ' A' ' 25' ' ' ASP . 20.2 tpt180 -68.07 -55.8 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.988 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 30' ' ' ARG . 20.5 tt -43.24 -49.03 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.192 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.596 ' N ' HG23 ' A' ' 29' ' ' ILE . 75.0 ttt180 -46.02 -37.27 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 1.0 110.631 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' LEU . 27.7 mt -75.54 -55.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.559 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.0 mtp -45.99 -38.08 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.634 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -68.32 -33.68 74.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.573 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -78.42 -42.8 29.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 1.0 109.966 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -66.93 -16.35 64.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.221 0.534 . . . . 1.0 109.817 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' HG13 ' A' ' 37' ' ' VAL . 71.9 m -71.27 -15.81 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 36' ' ' SER . 8.7 m -156.1 65.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.862 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -155.74 -65.08 0.12 Allowed 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.968 -0.293 . . . . 1.0 111.609 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 61.51 103.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.762 -0.459 . . . . 1.0 109.762 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.73 -176.34 5.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.906 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -68.75 173.72 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.322 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 43' ' ' GLY . 7.3 p -78.41 -41.18 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.885 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.488 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -79.22 -46.39 8.21 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.168 -0.773 . . . . 1.0 111.168 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.79 -62.19 1.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.921 0.391 . . . . 1.0 110.704 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.2 tt -53.44 -30.61 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.395 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.7 t -75.69 -40.15 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.777 -0.369 . . . . 1.0 111.425 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -59.82 -57.81 11.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.889 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.5 -42.55 99.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.46 -0.336 . . . . 1.0 111.462 -175.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.89 -1.87 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.505 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 58.58 65.73 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.982 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.8 mt -137.57 151.48 48.41 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.015 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 t -76.61 109.64 10.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.214 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -41.82 -52.52 3.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.917 0.389 . . . . 1.0 111.325 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.516 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 36.3 p -42.98 -45.66 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.033 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -71.2 -37.15 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.63 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' GLN . 64.5 t -60.94 -71.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.754 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.2 t -45.25 -37.2 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.814 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' SER . 52.8 m170 -73.7 -24.38 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.566 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 56' ' ' VAL . 66.3 tp60 -70.37 -48.14 57.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.504 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.34 -41.8 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -45.98 -66.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.662 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.6 tp -49.08 -69.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.393 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tp -45.07 -45.97 11.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.413 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -47.0 -54.4 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 1.0 111.161 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 40.7 t -56.52 -17.86 9.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.321 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 4.2 t -81.27 -9.73 12.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.692 -0.231 . . . . 1.0 110.863 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 65' ' ' SER . 1.2 m170 75.0 19.38 2.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.6 -0.273 . . . . 1.0 111.706 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.8 mt -92.39 -2.71 56.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.561 0.219 . . . . 1.0 110.962 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -154.55 149.41 12.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.954 0.407 . . . . 1.0 110.664 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -114.45 -165.26 1.0 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.913 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.91 125.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.998 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -88.02 132.54 34.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.41 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -78.42 118.86 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.854 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -138.2 118.88 14.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.135 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.2 -143.77 15.03 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.618 -0.993 . . . . 1.0 110.618 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' A' ' 76' ' ' GLN . 27.0 mp0 -76.04 -30.62 58.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.665 0.269 . . . . 1.0 110.917 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -88.77 -168.24 2.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.888 0.375 . . . . 1.0 110.899 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -158.19 123.92 4.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.741 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.742 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.6 mp -89.36 117.65 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.132 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -76.27 155.86 33.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.531 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.2 t -170.29 155.35 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.68 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.2 mt -70.53 -149.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.354 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.489 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 4.8 p-10 -171.87 -67.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.471 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.489 ' H ' ' CG ' ' A' ' 83' ' ' ASP . 12.0 m-20 -78.36 108.15 11.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.507 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.6 pt -71.01 8.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.443 ' H ' ' C ' ' A' ' 84' ' ' ASP . 1.2 t-80 -57.92 -64.91 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.674 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 88' ' ' ALA . 27.0 m -64.55 -45.61 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.883 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.505 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -43.63 -48.36 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 1.0 110.936 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.3 p -76.53 -12.79 60.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' VAL . 12.6 tpt -79.54 -33.62 41.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.032 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 91' ' ' LEU . 11.3 mp -70.21 -49.94 45.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 178.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -54.22 -42.94 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.553 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -60.0 -26.61 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.473 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.8 -52.29 15.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.698 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.657 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.5 mp -71.76 -8.75 11.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.9 -55.84 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.497 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.488 179.885 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.359 . . . . 1.0 110.669 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 64.5 m -67.43 -60.54 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.292 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.571 HD23 ' H ' ' B' ' 13' ' ' LEU . 0.5 OUTLIER -92.42 -8.45 44.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.613 0.244 . . . . 1.0 110.825 -179.347 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -58.11 -38.38 76.35 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.666 -0.413 . . . . 1.0 110.285 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -52.35 -58.76 5.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.659 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.4 HG12 ' H ' ' B' ' 16' ' ' VAL . 3.7 p -66.32 -16.01 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.597 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.8 m -79.35 -19.41 50.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 1.0 110.544 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -80.15 -42.56 23.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.094 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 pt -64.63 -35.15 73.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.144 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -65.51 -43.76 89.08 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.197 -0.601 . . . . 1.0 109.516 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -45.38 -45.57 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.766 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.4 -29.69 70.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.747 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.599 HD23 ' N ' ' B' ' 24' ' ' GLY . 1.4 tt -58.07 140.12 53.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.888 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.599 ' N ' HD23 ' B' ' 23' ' ' LEU . . . 156.11 179.88 31.49 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 60.13 85.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.711 0.291 . . . . 1.0 110.81 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -42.02 -28.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.485 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -63.96 -9.17 14.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.722 0.296 . . . . 1.0 111.308 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.633 ' HE ' HD22 ' B' ' 63' ' ' LEU . 72.1 ttt-85 -64.52 -68.74 0.33 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.059 -178.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 79.3 mt -42.65 -50.4 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.103 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -40.08 -69.74 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.444 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 pt -68.9 -39.94 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.19 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.542 ' SD ' ' NH1' ' B' ' 28' ' ' ARG . 8.6 ttt -54.76 -38.85 67.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.781 -0.368 . . . . 1.0 110.589 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -65.46 -64.01 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.706 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.16 -31.99 67.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.805 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.9 tp -69.09 -16.5 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 1.0 110.344 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -70.26 -15.25 62.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.434 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 6.4 m -153.81 64.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.256 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 34.9 p -163.69 -173.43 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.676 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -174.96 117.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.23 -177.71 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.62 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 20.7 m -71.58 172.82 8.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.078 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.5 m -78.7 -31.4 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.663 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.81 -57.67 2.25 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -43.05 -52.01 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 1.0 111.1 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 16.2 tt -51.78 -32.42 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.888 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.6 t -71.49 -70.62 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.086 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -45.05 -48.13 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.914 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -53.4 -59.41 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.111 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.1 mt -74.33 9.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.034 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.504 ' OD1' ' N ' ' B' ' 50' ' ' ASN . 0.8 OUTLIER 61.71 64.87 0.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.695 0.283 . . . . 1.0 111.064 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 30.8 mt -133.76 144.37 49.02 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.904 -0.406 . . . . 1.0 109.904 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.487 ' C ' ' H ' ' B' ' 54' ' ' SER . 32.3 t -79.29 117.21 20.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.589 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -58.57 -0.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.296 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.487 ' H ' ' C ' ' B' ' 52' ' ' SER . 14.0 t -73.2 -44.54 59.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 1.0 110.478 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' B' ' 59' ' ' GLN . 62.6 t30 -85.36 -33.61 21.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.88 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' B' ' 59' ' ' GLN . 94.7 t -42.91 -77.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.115 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.9 t -39.28 -40.4 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.536 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -79.07 -27.24 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.677 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 56' ' ' VAL . 1.6 tm0? -67.59 -50.63 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.696 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.93 -48.14 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 1.0 110.498 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -43.24 -48.29 6.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.784 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.463 ' C ' HD23 ' B' ' 62' ' ' LEU . 1.8 tt -54.99 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.057 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.633 HD22 ' HE ' ' B' ' 28' ' ' ARG . 28.7 mt -42.32 -52.8 4.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -44.35 -64.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.126 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.9 m -50.07 -34.72 22.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.333 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.459 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 26.5 t -77.69 -4.8 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.8 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.459 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 4.3 m80 76.28 19.94 1.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.867 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 43.3 mt -85.41 -19.36 31.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.601 0.238 . . . . 1.0 110.632 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 m -149.47 143.54 18.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.522 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -106.84 -166.06 1.13 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.154 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -166.86 170.03 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.616 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -150.18 139.79 21.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.367 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -83.18 115.64 22.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.63 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' B' ' 76' ' ' GLN . 17.8 tt0 -140.79 139.86 34.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.378 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.88 -79.29 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' B' ' 74' ' ' GLN . 1.6 pm0 -159.4 -41.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.479 ' O ' ' SD ' ' B' ' 78' ' ' MET . 18.8 p -64.69 -167.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.912 177.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.479 ' SD ' ' O ' ' B' ' 77' ' ' SER . 10.9 mmt -139.57 105.02 5.07 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.717 ' N ' HD12 ' B' ' 79' ' ' ILE . 1.6 mp -79.23 112.07 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.222 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -81.17 142.43 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.373 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 15.3 t -164.33 123.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.649 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.506 ' CD2' ' H ' ' B' ' 82' ' ' LEU . 0.7 OUTLIER -74.32 -167.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.611 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -151.43 -31.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.595 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -70.43 82.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.473 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 26.2 pt -75.39 2.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.451 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -79.07 -54.03 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.648 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.406 ' H ' HG22 ' B' ' 87' ' ' VAL . 10.5 m -62.04 -30.11 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.705 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.53 -49.95 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.498 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 49.3 p -67.63 -46.48 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 62.4 mtt -45.61 -31.85 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.626 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' B' ' 94' ' ' ALA . 15.1 tp -78.97 -61.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.184 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -45.83 -34.76 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.591 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -70.78 -30.14 66.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.462 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -70.96 -38.93 72.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.628 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.8 mm -78.27 -9.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.859 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -88.75 -35.57 16.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.737 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.69 -179.219 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.1 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.774 0.321 . . . . 1.0 110.367 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.0 m -85.19 -50.55 7.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.166 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 mt -87.53 -7.03 58.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.133 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.67 -38.38 72.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.932 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -76.22 -48.07 21.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.97 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 t -67.83 -22.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 1.0 110.48 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.4 m -75.19 -30.4 60.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.369 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.8 -27.52 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.543 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.5 mt -64.55 -57.41 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.46 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 63.8 m-85 -52.08 -41.54 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.929 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' NZ ' ' CE2' ' B' ' 26' ' ' TYR . 91.9 mttt -81.47 0.51 37.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.976 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -57.33 11.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.346 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -62.34 -167.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.853 -177.54 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -169.86 -108.51 0.21 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.806 -0.917 . . . . 1.0 110.806 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.92 112.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 1.0 110.419 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.46 ' C ' ' H ' ' A' ' 28' ' ' ARG . 14.2 m-85 -39.46 -34.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.773 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.495 ' OD1' ' NE2' ' A' ' 59' ' ' GLN . 15.7 p30 -59.89 -1.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.864 -0.335 . . . . 1.0 110.881 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' CZ ' ' SD ' ' A' ' 32' ' ' MET . 4.3 tmt_? -58.89 -49.46 77.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.344 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.37 -45.05 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.764 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -52.44 -72.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.538 HG23 ' N ' ' A' ' 32' ' ' MET . 21.2 tt -51.85 -43.57 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.952 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.538 ' N ' HG23 ' A' ' 31' ' ' ILE . 28.0 ttt -63.26 -19.55 64.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.853 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -69.19 -70.6 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.084 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -52.76 -30.94 35.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.63 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -64.85 -28.27 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.576 -0.528 . . . . 1.0 109.576 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -50.98 -16.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.193 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 37' ' ' VAL . 6.4 p -163.91 73.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.625 0.726 . . . . 1.0 110.393 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 m -171.72 165.11 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.511 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -155.08 121.05 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.165 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.96 -177.64 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.701 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 m -80.32 -170.9 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.335 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.27 -44.9 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.48 -26.91 68.75 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.75 -30.72 70.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 1.0 110.375 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.4 mm -61.79 -28.98 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.853 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 50' ' ' ASN . 13.4 t -71.35 -69.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.082 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -54.44 -50.28 68.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.994 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -40.04 -66.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.48 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.61 23.54 12.62 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.583 0.216 . . . . 1.0 111.583 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 46' ' ' SER . 47.9 t-20 57.73 96.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.299 177.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 46' ' ' SER . 58.0 tp -164.38 152.23 12.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.951 177.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 54' ' ' SER . 23.8 p -78.9 107.45 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.653 0.263 . . . . 1.0 110.662 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -62.14 0.65 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.718 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 52' ' ' SER . 10.5 m -73.11 -48.03 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.621 ' ND2' ' N ' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -80.74 -30.47 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.727 -179.731 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.621 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 84.9 t -46.55 -75.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.614 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -43.34 -41.84 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.966 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 58.8 t-80 -70.53 -24.12 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.749 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 56' ' ' VAL . 46.9 tt0 -79.34 -38.55 34.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.392 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.92 -47.76 81.85 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.029 -0.269 . . . . 1.0 111.203 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' CB ' ' NZ ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -44.75 -41.94 7.31 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.924 -0.31 . . . . 1.0 110.603 -178.342 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -59.76 -70.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.051 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.7 mt -41.67 -54.66 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.987 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -51.06 -49.89 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.169 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -57.62 -34.76 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.253 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 66' ' ' VAL . 25.4 t -77.79 -1.5 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.085 -0.246 . . . . 1.0 110.845 -177.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 t60 74.46 22.68 2.08 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.971 0.359 . . . . 1.0 111.971 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.2 mt -94.34 -14.22 25.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.553 0.215 . . . . 1.0 110.864 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.5 t -149.0 139.19 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.932 0.396 . . . . 1.0 110.719 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -110.07 -178.28 3.48 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.205 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.85 172.38 7.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.4 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -155.34 153.75 30.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.816 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -104.4 118.38 36.47 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.9 -0.591 . . . . 1.0 109.888 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -160.81 59.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.422 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.48 72.91 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.072 -1.211 . . . . 1.0 110.072 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 54.17 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 1.0 110.238 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -63.88 161.26 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.945 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -112.33 128.94 56.43 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.985 -0.376 . . . . 1.0 109.985 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.8 mt -86.44 124.19 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.46 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -83.99 150.73 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.693 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.8 t -157.06 148.23 21.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.653 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.94 -156.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.547 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 2.6 p-10 -165.92 -69.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.633 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 22.2 p-10 -70.81 100.18 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.678 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.8 pt -68.68 9.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.669 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' A' ' 84' ' ' ASP . 60.0 t60 -76.04 -26.93 57.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.725 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -78.74 -32.72 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.729 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.67 -53.51 18.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.773 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.587 HG23 ' N ' ' A' ' 90' ' ' MET . 6.3 t -71.98 -51.21 23.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.702 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.587 ' N ' HG23 ' A' ' 89' ' ' THR . 28.3 ttt -39.14 -41.92 0.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.633 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.77 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 1.0 110.481 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 44.6 tttp -49.47 -38.11 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.255 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -75.65 -42.19 52.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 1.0 111.268 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.77 -34.51 71.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.24 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.3 tt -80.77 -10.06 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.939 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 92' ' ' LYS . 28.7 m170 -74.69 -60.06 2.45 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.676 -0.49 . . . . 1.0 109.676 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.494 179.719 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 C--O 1.23 0.076 0 N-CA-C 109.738 -0.467 . . . . 1.0 109.738 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.0 m -66.62 -59.85 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.306 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.54 -30.64 71.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.345 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -58.01 -25.95 61.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.611 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -60.74 -66.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.424 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.405 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 12.1 m -57.91 -14.07 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.607 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -82.24 -18.09 43.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.461 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -77.48 -36.49 52.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.842 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.2 pt -69.16 -37.5 76.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.237 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 59.9 m-85 -71.39 -39.7 71.0 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.243 -0.583 . . . . 1.0 110.36 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -69.0 -8.14 42.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.664 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.77 -51.82 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.958 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.98 156.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.958 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' B' ' 25' ' ' ASP . . . -169.82 163.51 36.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.628 -0.989 . . . . 1.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 24' ' ' GLY . 42.4 m-20 48.81 -179.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 1.0 110.564 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 7.0 m-85 -99.69 -53.22 3.25 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.725 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.516 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 3.3 t30 -69.91 2.62 3.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.615 -176.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -60.26 -49.72 76.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.754 -0.378 . . . . 1.0 110.988 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.536 HG23 ' N ' ' B' ' 30' ' ' ARG . 19.9 tt -67.56 -43.51 87.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.983 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.536 ' N ' HG23 ' B' ' 29' ' ' ILE . 82.9 mtp180 -46.1 -32.09 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.805 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.414 ' CD1' ' OE1' ' B' ' 59' ' ' GLN . 96.0 mt -63.23 -61.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 1.0 110.487 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 49.0 mtt -49.61 -29.53 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.851 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.9 -30.44 58.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.857 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -76.24 -40.41 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.62 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 mt -72.22 -20.53 61.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.553 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.449 ' O ' HG13 ' B' ' 37' ' ' VAL . 20.3 t -60.57 -19.99 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.395 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.449 HG13 ' O ' ' B' ' 36' ' ' SER . 13.3 m -157.15 58.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.259 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 5.1 m -167.23 171.75 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.604 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -156.08 122.07 5.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.171 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.07 179.11 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.668 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.9 t -77.93 -179.62 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.318 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.403 HG23 ' N ' ' B' ' 43' ' ' GLY . 14.4 m -79.13 -35.49 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.6 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.403 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -79.01 -46.76 8.08 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -47.09 -69.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 1.0 110.523 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 13.3 tt -44.72 -36.09 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -71.46 -48.36 49.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.071 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.411 ' C ' ' ND1' ' B' ' 47' ' ' HIS . 18.3 t-80 -74.57 -50.73 16.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.804 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -54.71 -49.81 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.098 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 tp -74.77 10.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.012 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 61.74 52.39 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.553 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -124.16 148.42 47.24 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 176.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.485 ' C ' ' H ' ' B' ' 54' ' ' SER . 14.9 t -77.32 118.06 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.313 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -54.98 -4.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.357 . . . . 1.0 111.255 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.485 ' H ' ' C ' ' B' ' 52' ' ' SER . 12.3 t -83.69 -11.59 57.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.34 . . . . 1.0 110.589 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -102.38 -50.27 3.65 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.108 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.768 HG13 ' H ' ' B' ' 57' ' ' SER . 8.8 p -49.48 -64.93 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.958 -176.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.768 ' H ' HG13 ' B' ' 56' ' ' VAL . 79.6 p -42.28 -51.2 4.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 1.0 111.1 -178.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' B' ' 58' ' ' HIS . 22.6 t-80 -66.97 -25.93 66.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.603 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' B' ' 56' ' ' VAL . 42.1 tt0 -69.67 -55.68 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.166 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 44.2 mt -51.36 -41.86 60.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 1.0 110.92 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -43.11 -59.13 2.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.066 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.486 ' C ' HD23 ' B' ' 62' ' ' LEU . 3.6 tt -59.94 -72.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.488 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.55 ' CD1' ' H ' ' B' ' 63' ' ' LEU . 10.1 mp -37.94 -56.28 1.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.362 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -44.98 -36.47 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.087 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 25.8 p -75.58 -25.87 57.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.066 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.425 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 3.9 t -77.91 -7.51 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.936 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.425 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 4.3 m80 73.45 19.71 3.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.566 0.222 . . . . 1.0 111.483 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 35.1 mt -92.98 -11.11 34.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.648 -0.251 . . . . 1.0 110.756 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 23.3 m -149.48 143.92 18.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.891 0.377 . . . . 1.0 110.74 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -121.3 -163.74 1.07 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.101 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.03 177.76 4.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 1.0 111.094 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -154.93 149.15 26.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.349 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -79.21 110.53 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.815 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' B' ' 75' ' ' GLY . 0.5 OUTLIER -122.34 89.64 3.15 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.157 -0.474 . . . . 1.0 109.956 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 52.72 109.5 0.01 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.467 ' CD ' ' N ' ' B' ' 77' ' ' SER . 3.7 tm0? 53.38 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 1.0 110.976 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 75' ' ' GLY . 97.1 p -66.65 -168.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.777 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.3 mtt -146.97 119.96 8.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.068 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 91.2 mt -82.25 120.09 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.786 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -82.11 151.64 26.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.424 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.7 p -170.21 159.1 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tp -65.45 -157.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -173.93 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 1.0 110.797 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.23 110.19 13.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.937 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.46 -24.47 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.529 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -61.07 -63.66 1.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.607 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 90.1 t -54.15 -52.15 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.483 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.39 -49.82 6.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.935 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.9 m -70.79 -31.31 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.877 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.1 tpt -51.96 -32.78 34.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.765 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 91' ' ' LEU . 10.3 mp -76.79 -50.6 13.13 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' B' ' 96' ' ' HIS . 31.5 mmtm -44.83 -45.47 10.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.633 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.75 -28.81 67.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 -53.93 16.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.127 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.654 ' N ' HD12 ' B' ' 95' ' ' ILE . 1.6 mp -69.05 -7.27 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 96' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' B' ' 92' ' ' LYS . 1.8 m-70 -84.96 -33.97 22.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.332 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 76.9 t60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.736 -179.842 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 62.0 t0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.715 0.293 . . . . 1.0 110.65 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -65.68 -58.84 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.692 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tp -65.11 -36.13 83.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.534 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -55.58 -35.87 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.979 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -72.87 -43.82 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.402 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.6 -23.7 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.717 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 p -82.3 -21.06 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.309 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.23 -22.25 48.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.51 -68.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.656 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -53.26 -36.93 61.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.869 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -70.86 -19.5 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.631 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.9 25.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.405 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 23' ' ' LEU . 9.9 mp -63.38 175.02 1.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.107 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.73 -117.27 0.69 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.09 149.7 49.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.734 0.302 . . . . 1.0 110.672 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -51.2 -20.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.862 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 1.4 m120 -78.43 -19.61 52.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.994 -178.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.432 ' O ' HG22 ' A' ' 31' ' ' ILE . 24.9 mmt180 -58.14 -71.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.027 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.522 HG23 ' N ' ' A' ' 30' ' ' ARG . 19.2 tt -39.54 -43.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.87 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' N ' HG23 ' A' ' 29' ' ' ILE . 94.4 mtt-85 -46.91 -14.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 1.0 111.092 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' ILE . 4.1 tp -71.96 -36.69 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 1.0 110.456 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 43.4 ttm -74.74 -39.51 61.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.868 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -51.27 -48.7 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.994 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -78.64 -40.81 33.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.786 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.9 tp -66.79 -26.08 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.659 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.9 p -70.01 -17.76 63.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.704 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.413 ' O ' ' OG ' ' A' ' 38' ' ' SER . 63.4 t -84.83 -46.6 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.881 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 12.9 m -167.4 -147.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.821 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -138.67 159.53 41.87 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.227 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.92 -179.56 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.733 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.6 t -73.02 171.9 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.576 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -69.4 -45.41 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.856 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.19 -47.88 42.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -45.08 -27.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 1.0 110.684 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.3 mt -81.88 -38.43 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 t -70.76 -55.58 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.176 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -61.07 -53.51 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.48 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' A' ' 50' ' ' ASN . 51.3 tt0 -67.71 -68.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.294 -177.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -55.07 -6.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.299 -177.689 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.474 ' H ' ' C ' ' A' ' 48' ' ' GLN . 19.7 t30 61.54 66.56 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.792 0.329 . . . . 1.0 110.926 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.0 mt -139.35 151.67 46.55 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.841 -0.429 . . . . 1.0 109.841 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 54' ' ' SER . 58.8 m -77.81 114.11 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.638 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.477 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.7 pm0 -55.89 -5.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.904 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 52' ' ' SER . 74.1 m -76.97 -38.43 53.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.242 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' GLN . 2.1 m-20 -82.54 -33.55 28.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.486 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 59' ' ' GLN . 99.5 t -46.71 -69.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.631 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -42.61 -39.93 2.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.073 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -75.43 -31.6 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.156 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 56' ' ' VAL . 8.9 tt0 -63.26 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.561 . . . . 1.0 111.005 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 13.3 mt -50.18 -45.05 53.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.886 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -46.68 -64.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.336 . . . . 1.0 110.669 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 tp -40.98 -69.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.088 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.5 mp -46.77 -44.74 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.448 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' CB ' ' NZ ' ' A' ' 64' ' ' LYS . 2.6 ttmp? -63.29 -41.31 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.68 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 p -67.75 -21.89 65.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.422 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.512 ' O ' HG12 ' A' ' 66' ' ' VAL . 71.8 t -81.0 -4.74 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.461 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 t60 74.23 16.25 3.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.49 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.457 HD23 ' C ' ' A' ' 68' ' ' LEU . 1.8 tt -82.99 -77.27 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.119 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.63 162.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.88 0.372 . . . . 1.0 110.79 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -133.41 177.57 7.58 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.823 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -160.93 121.37 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.968 0.413 . . . . 1.0 111.146 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -87.23 156.73 19.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.194 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -118.79 118.67 32.22 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.276 -0.42 . . . . 1.0 109.947 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -161.08 73.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.076 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 125.0 87.14 0.7 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 178.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 76' ' ' GLN . 26.7 mp0 50.56 -88.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 1.0 110.817 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' GLY . 66.9 m -70.91 -167.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.569 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.7 mtt -129.86 176.47 8.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mt -142.91 105.07 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.933 0.397 . . . . 1.0 110.531 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -67.45 146.09 54.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.652 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -160.73 147.09 15.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.005 0.431 . . . . 1.0 111.234 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -89.62 95.82 10.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.67 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.37 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.869 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -42.87 100.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.129 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 85' ' ' ILE . 20.1 pt -77.46 0.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.664 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -73.29 -38.31 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.698 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.2 t -71.51 -34.65 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.686 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.84 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.632 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -80.54 -59.36 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.801 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 26.2 ttt -45.21 -36.96 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.245 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.9 tp -74.76 -32.67 62.13 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.525 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -66.28 -60.21 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -51.26 -28.01 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.777 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.36 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.573 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 95' ' ' ILE . 73.7 mt -79.6 -7.21 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.507 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -77.95 -38.94 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.675 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.6 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.771 0.32 . . . . 1.0 110.705 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 66.7 p -70.14 -61.05 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.842 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.435 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -47.9 -55.3 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.404 -178.72 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -51.7 -38.93 57.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.874 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -59.38 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.498 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.72 -22.32 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.493 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.7 m -74.55 -20.42 59.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.285 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -77.47 -35.03 54.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.426 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 33.3 mt -59.01 -63.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.342 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -52.9 -42.55 65.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.616 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.19 -40.97 91.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.004 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.533 ' C ' ' H ' ' B' ' 24' ' ' GLY . . . -42.35 -44.78 4.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.667 0.27 . . . . 1.0 111.106 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.567 ' N ' HD12 ' B' ' 23' ' ' LEU . 8.7 mp -66.76 27.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.645 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' B' ' 22' ' ' ALA . . . -47.33 -49.28 20.02 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.821 -0.911 . . . . 1.0 110.821 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.415 ' OD2' ' OE1' ' B' ' 59' ' ' GLN . 1.0 OUTLIER -76.36 166.49 23.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 1.0 110.457 179.782 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.424 ' C ' ' H ' ' B' ' 28' ' ' ARG . 88.8 m-85 -100.07 -53.97 3.01 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.546 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -64.79 3.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.473 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.519 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 29.2 ttm180 -58.96 -44.43 91.48 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.688 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 74.0 mt -65.65 -48.92 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.768 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -46.24 -48.04 17.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.602 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 71.4 mt -76.68 -58.18 4.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.792 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' B' ' 32' ' ' MET . 1.7 tmt? -45.55 -35.17 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.763 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.35 -67.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.848 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.521 HD23 ' O ' ' B' ' 34' ' ' LEU . 0.8 OUTLIER -53.16 -32.91 50.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.145 0.497 . . . . 1.0 110.276 -178.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.8 OUTLIER -70.71 -44.85 66.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.401 -179.381 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -40.45 -21.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.727 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.2 p -158.43 72.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.789 0.804 . . . . 1.0 110.667 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' B' ' 39' ' ' GLU . 27.6 t -172.25 -160.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.557 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.401 ' N ' ' OG ' ' B' ' 38' ' ' SER . 6.2 pt-20 -175.66 129.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.486 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.08 166.73 25.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.633 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.406 ' H ' ' HB2' ' B' ' 44' ' ' HIS . 50.4 m -83.5 -178.81 7.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.678 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.6 -49.9 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.096 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.0 -34.79 26.03 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.406 ' HB2' ' H ' ' B' ' 41' ' ' SER . 39.5 m170 -55.34 -57.18 12.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.725 0.298 . . . . 1.0 110.932 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 tt -57.18 -32.47 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.936 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 54.1 p -72.09 -67.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.288 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.521 ' N ' ' OG ' ' B' ' 46' ' ' SER . 23.6 t60 -55.8 -53.6 54.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.432 -177.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.471 ' C ' ' H ' ' B' ' 50' ' ' ASN . 30.5 tt0 -52.85 -61.11 2.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.167 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.482 HD23 ' O ' ' B' ' 49' ' ' LEU . 0.9 OUTLIER -66.52 7.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.422 -177.711 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.471 ' H ' ' C ' ' B' ' 48' ' ' GLN . 13.6 m-20 58.25 74.23 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.788 -0.365 . . . . 1.0 110.693 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tp -152.33 155.95 38.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.113 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.4 p -79.36 115.26 18.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.559 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.19 2.28 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.013 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 77.5 p -73.36 -38.28 65.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.31 -0.404 . . . . 1.0 111.082 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -105.14 -5.76 20.48 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.541 -0.3 . . . . 1.0 111.673 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.616 HG13 ' N ' ' B' ' 57' ' ' SER . 8.6 p -60.71 -56.55 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.962 -177.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.616 ' N ' HG13 ' B' ' 56' ' ' VAL . 11.2 t -49.76 -52.76 29.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.721 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -56.65 -29.67 62.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.654 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.415 ' OE1' ' OD2' ' B' ' 25' ' ' ASP . 8.4 tp-100 -70.78 -50.78 32.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.123 -178.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 mt -59.38 -48.2 82.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.983 -0.287 . . . . 1.0 111.009 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -45.36 -42.94 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.885 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 tp -56.19 -62.45 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.201 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.547 ' N ' HD12 ' B' ' 63' ' ' LEU . 10.5 mp -47.62 -48.51 28.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.199 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -49.31 -29.56 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.254 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -80.81 -45.49 16.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.422 ' H ' HG23 ' B' ' 66' ' ' VAL . 9.2 t -56.39 -13.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.439 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.466 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 15.6 t-80 78.94 18.55 0.86 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.143 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 30.6 mt -87.97 -73.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.773 0.32 . . . . 1.0 110.384 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -82.08 132.81 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.9 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -103.81 135.82 44.64 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.456 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.49 164.84 13.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.895 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -145.36 125.59 13.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.868 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.12 106.62 18.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.67 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.417 ' OE1' HD12 ' B' ' 79' ' ' ILE . 12.1 pt20 -138.34 136.39 36.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.101 -0.499 . . . . 1.0 109.907 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.56 -157.46 1.53 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.488 -1.045 . . . . 1.0 110.488 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -64.15 -55.47 21.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.811 0.338 . . . . 1.0 110.54 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.436 ' C ' ' SD ' ' B' ' 78' ' ' MET . 22.7 t -72.29 -167.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.593 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.586 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -152.05 125.15 8.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 1.0 109.859 179.252 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.417 HD12 ' OE1' ' B' ' 74' ' ' GLN . 17.7 mt -98.33 129.03 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.0 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.41 146.52 23.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.369 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 38.9 p -155.16 132.44 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.821 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.82 124.29 33.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.174 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.406 ' O ' HD12 ' B' ' 85' ' ' ILE . 1.4 m-20 -79.66 -27.34 40.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.922 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.48 78.44 9.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.875 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.682 ' N ' HD12 ' B' ' 85' ' ' ILE . 2.1 mp -62.45 -26.61 40.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 1.0 109.913 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -46.92 -46.42 21.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.851 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.09 -39.06 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.808 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.16 91.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.744 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 45.7 p -74.63 -48.52 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.84 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 24.5 ttt -54.44 -28.92 47.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.389 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 31.0 tp -73.64 -37.74 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.374 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -61.96 -49.43 76.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.672 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -57.52 -31.69 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.881 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.64 66.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.674 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.425 ' O ' HG22 ' B' ' 95' ' ' ILE . 73.4 mt -79.29 -11.67 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.666 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -73.66 -33.37 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.676 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.728 -179.814 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.7 t0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.87 0.367 . . . . 1.0 110.167 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -67.61 -58.51 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.4 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -49.58 -48.41 48.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.802 179.123 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' THR . 31.1 tt0 -45.15 -45.14 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.936 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -48.95 -21.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.034 0.445 . . . . 1.0 110.744 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.5 t -89.64 -23.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.483 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' GLU . 8.6 m -78.26 -17.36 56.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.105 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.78 -44.46 8.5 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.702 -0.227 . . . . 1.0 111.205 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 20' ' ' PHE . 17.6 tt -57.59 -38.28 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.858 -0.337 . . . . 1.0 111.079 -177.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.416 ' N ' HG23 ' A' ' 19' ' ' ILE . 31.3 m-85 -79.85 -38.48 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.152 -0.314 . . . . 1.0 110.152 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -67.52 -21.54 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 1.0 110.512 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.74 -51.04 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.664 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.5 mt -56.97 167.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.479 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.03 -8.68 0.06 OUTLIER Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.103 -0.799 . . . . 1.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -69.3 115.97 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 1.0 110.771 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.716 ' H ' HH21 ' A' ' 28' ' ' ARG . 45.6 t80 -88.53 -73.42 0.5 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.543 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -104.38 1.21 29.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.188 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.716 HH21 ' H ' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -80.87 -6.52 58.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.897 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.23 -44.78 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.08 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -40.33 -44.09 1.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.161 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.49 -51.68 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.398 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 ttt -53.51 -33.7 55.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.499 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.89 -51.88 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.417 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.31 -37.27 86.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -63.02 -36.15 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 1.0 109.778 179.68 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -66.84 -21.33 66.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.055 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -77.28 -36.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.957 -0.297 . . . . 1.0 110.949 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -171.27 -141.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.932 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -139.51 153.78 47.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.375 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.16 -177.41 5.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.504 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.42 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 6.4 p -71.98 173.95 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.095 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 43' ' ' GLY . 19.4 m -81.65 -38.52 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.184 -178.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -81.07 -49.94 5.37 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.534 -0.626 . . . . 1.0 111.534 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.42 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -43.79 -37.32 2.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.692 0.282 . . . . 1.0 111.184 -178.344 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.41 -27.18 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.077 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 43' ' ' GLY . 48.4 t -73.94 -61.81 1.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.294 -177.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -61.67 -53.01 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.24 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -53.28 -46.19 69.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.91 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 tp -80.02 7.38 9.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.645 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.4 t30 58.68 58.33 3.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.762 0.315 . . . . 1.0 110.768 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -141.24 158.62 43.65 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.209 -0.45 . . . . 1.0 109.932 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 54' ' ' SER . 55.3 p -80.19 118.02 21.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.627 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -64.17 1.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.981 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.488 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 5.0 m -85.59 -22.1 28.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.619 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 1.2 m-20 -90.82 -42.77 10.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.262 -178.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.679 HG23 ' H ' ' A' ' 57' ' ' SER . 31.3 m -50.85 -61.02 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.979 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.679 ' H ' HG23 ' A' ' 56' ' ' VAL . 54.9 p -41.88 -53.23 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.699 0.285 . . . . 1.0 111.281 -178.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 54' ' ' SER . 21.5 m80 -67.45 -28.33 67.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.635 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -67.02 -53.73 28.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.892 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.3 mt -50.01 -38.34 37.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.442 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -45.42 -50.37 12.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.602 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.05 -70.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.391 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.9 mp -41.78 -62.1 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.964 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -48.3 -47.65 36.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.998 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 t -65.1 -36.94 85.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.236 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 66' ' ' VAL . 61.5 t -77.44 -2.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.893 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.475 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 3.7 m80 77.85 22.55 0.85 Allowed 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.013 0.375 . . . . 1.0 112.013 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.1 mt -87.92 -15.29 37.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.571 0.224 . . . . 1.0 110.807 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.2 t -144.82 135.02 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.828 0.347 . . . . 1.0 110.591 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -107.98 129.1 55.14 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.372 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 -179.62 6.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.583 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -155.16 137.09 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.519 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -71.91 103.39 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.874 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -136.12 93.62 2.94 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.24 -151.56 42.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.549 ' H ' ' CD ' ' A' ' 76' ' ' GLN . 1.7 mp0 -62.29 -59.33 5.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 1.0 110.832 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.8 m -78.5 -167.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.564 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mmt -132.44 119.49 20.69 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 96.9 mt -79.1 119.86 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 1.0 110.509 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -82.3 129.3 34.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.79 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -145.16 145.5 31.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.483 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -82.41 -176.81 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.521 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -159.25 -45.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.45 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -74.55 88.21 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.637 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.5 mm -63.27 -17.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.576 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.432 ' N ' ' ND1' ' A' ' 86' ' ' HIS . 3.1 m80 -57.87 -52.24 66.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.72 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.87 -36.79 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.653 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.64 -34.51 72.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.615 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.7 m -74.3 -46.06 43.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.774 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 mmt -55.42 -28.84 56.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.936 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' ' 91' ' ' LEU . 2.2 tt -69.55 -61.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 1.0 110.224 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -46.17 -49.4 16.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.667 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -47.58 -34.29 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.502 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -68.92 -45.22 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.634 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 95' ' ' ILE . 86.3 mt -79.76 -7.41 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.6 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -75.07 -53.02 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.67 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.7 -179.785 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.797 0.332 . . . . 1.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -61.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.013 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' B' ' 15' ' ' ARG . 11.1 tp -51.32 -54.95 21.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.172 -177.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -50.84 -11.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.871 -0.332 . . . . 1.0 111.05 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' B' ' 13' ' ' LEU . 56.6 ttm-85 -67.64 -57.74 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.793 -0.363 . . . . 1.0 110.403 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.512 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 12.6 m -64.96 -15.28 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.562 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.416 ' CG2' ' CE1' ' A' ' 26' ' ' TYR . 89.6 m -74.92 -26.25 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.332 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -78.66 -37.02 42.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.734 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 98.9 mt -56.46 -67.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.652 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.512 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 9.8 m-85 -50.29 -37.81 38.11 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.534 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -65.54 -36.56 84.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.756 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.58 -47.73 49.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.387 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.24 162.64 5.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.369 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.19 -23.08 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' B' ' 25' ' ' ASP . 15.7 p-10 -72.66 138.11 46.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 1.0 110.71 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -98.91 -73.34 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.082 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -104.27 -4.27 23.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.085 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.495 ' N ' ' CD ' ' B' ' 28' ' ' ARG . 10.7 mpt_? -78.83 -8.44 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.284 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' B' ' 31' ' ' ILE . 17.1 tt -71.88 -29.59 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.415 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -40.57 -21.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.336 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' B' ' 29' ' ' ILE . 9.7 pt -70.24 -40.6 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.889 -0.324 . . . . 1.0 110.424 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.451 ' N ' ' O ' ' B' ' 29' ' ' ILE . 71.4 mmm -62.71 -26.24 68.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.49 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -68.43 -68.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.013 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -50.83 -31.05 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.749 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.515 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -63.55 -32.01 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.107 0.479 . . . . 1.0 109.823 -179.568 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -49.76 -13.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.458 HG22 ' O ' ' B' ' 37' ' ' VAL . 1.7 p -172.11 86.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.38 0.609 . . . . 1.0 110.806 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' B' ' 37' ' ' VAL . 1.8 m 163.86 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.532 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -171.93 134.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -159.32 -178.36 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.665 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 45.0 m -79.13 -179.04 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.633 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.7 p -78.77 -35.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.494 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.63 -54.98 2.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -44.86 -57.55 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.334 . . . . 1.0 110.817 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 tt -48.19 -28.65 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.788 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.9 t -77.41 -59.11 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.957 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -53.31 -50.45 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.043 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -53.14 -53.27 52.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.916 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 39.1 mt -79.34 9.48 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.295 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 56.8 64.77 1.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.761 0.315 . . . . 1.0 111.044 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.8 mt -141.61 156.14 45.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.139 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 37.9 m -81.51 123.56 28.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.654 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -48.19 -54.64 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.929 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.441 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 45.5 t -52.89 -34.93 57.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.203 -178.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -73.29 -65.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.092 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.608 HG13 ' H ' ' B' ' 57' ' ' SER . 6.3 p -50.82 -58.33 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.726 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.608 ' H ' HG13 ' B' ' 56' ' ' VAL . 28.6 t -41.76 -49.91 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 1.0 111.257 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' B' ' 54' ' ' SER . 1.9 m80 -65.62 -22.79 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.652 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' B' ' 56' ' ' VAL . 36.0 tt0 -74.26 -43.01 58.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.885 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.9 mt -55.47 -38.51 69.18 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.536 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -46.65 -52.75 13.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.423 HD23 ' O ' ' B' ' 62' ' ' LEU . 1.2 tt -54.45 -62.83 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.376 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.529 HD22 ' N ' ' B' ' 63' ' ' LEU . 4.0 mm? -47.3 -54.61 10.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.511 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -65.1 -37.28 86.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.281 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.4 p -72.85 8.37 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.23 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.505 ' O ' HG12 ' B' ' 66' ' ' VAL . 82.2 t -124.88 -3.3 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.712 -0.222 . . . . 1.0 110.533 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' B' ' 66' ' ' VAL . 0.9 OUTLIER 85.77 19.62 0.1 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.348 176.731 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.419 HD12 HD13 ' B' ' 63' ' ' LEU . 35.3 mt -91.16 -13.49 32.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.626 0.25 . . . . 1.0 110.536 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 85.2 t -147.57 143.42 19.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.84 0.352 . . . . 1.0 110.601 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -124.19 111.06 15.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.157 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.81 155.24 19.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.078 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -141.69 163.38 33.06 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.913 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -139.02 127.55 23.08 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.059 0.457 . . . . 1.0 110.538 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -160.24 67.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.096 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.34 -61.72 0.41 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.578 -1.009 . . . . 1.0 110.578 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -164.42 -88.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 84.9 p -62.37 179.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.98 -0.378 . . . . 1.0 109.98 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.6 mpt? -111.08 111.3 22.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.805 0.336 . . . . 1.0 110.369 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 mm -82.86 103.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.737 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -68.9 146.9 52.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.598 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -153.95 138.82 17.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.704 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.57 HD22 ' N ' ' B' ' 82' ' ' LEU . 2.9 mm? -81.06 94.44 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.179 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -71.98 -36.67 69.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.365 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.82 95.44 8.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.515 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.1 -16.45 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.777 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -56.13 -57.37 12.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.695 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.56 -40.69 87.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.859 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.41 83.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.671 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.7 m -74.74 -35.11 62.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 5.8 tpt -63.02 -27.31 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.613 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.7 tp -70.97 -49.9 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.433 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -59.54 -38.59 81.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.507 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.16 -32.67 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.715 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.3 -54.83 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.732 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.471 HG22 ' O ' ' B' ' 95' ' ' ILE . 92.8 mt -70.1 -7.53 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.591 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -75.33 -67.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.602 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 66.5 m80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.331 179.404 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.802 0.334 . . . . 1.0 110.75 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 13' ' ' LEU . 8.8 t -72.82 -45.68 57.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.027 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.556 ' N ' HG23 ' A' ' 12' ' ' THR . 10.7 tp -44.68 -56.02 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 1.0 110.871 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -48.82 -54.12 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.812 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -56.71 -37.31 70.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.799 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.9 t -68.76 -25.92 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.995 0.426 . . . . 1.0 110.408 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.9 m -72.77 -18.52 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.368 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -78.84 -37.88 39.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.473 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 73.6 mt -56.5 -62.07 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -56.21 -44.02 79.09 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -66.0 -15.22 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.777 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -70.54 -50.83 33.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 1.0 110.465 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' B' ' 20' ' ' PHE . 13.7 mt -44.0 145.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.87 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -158.01 125.67 1.58 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.516 -1.034 . . . . 1.0 110.516 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' GLY . 60.3 m-20 56.98 114.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 1.0 110.653 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -71.59 -13.92 61.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.745 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -76.56 -15.49 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.9 ttt-85 -76.69 -33.3 58.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.051 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -46.26 -51.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.713 0.292 . . . . 1.0 110.497 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -45.49 -37.46 5.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.922 0.392 . . . . 1.0 110.464 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' LEU . 20.8 mt -74.94 -60.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.377 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 ttm -41.17 -41.26 1.76 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.53 -38.43 89.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.274 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.1 tp -65.31 -37.48 87.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 37' ' ' VAL . 13.4 mt -66.28 -30.2 70.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.479 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -46.73 -21.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.469 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 37' ' ' VAL . 3.4 p -177.06 88.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.088 178.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' GLU . 89.2 p -170.18 -64.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.986 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 38' ' ' SER . 57.4 mt-10 59.37 116.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.386 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.86 -177.38 6.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.673 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 25.9 t -70.96 171.87 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.446 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 t -79.85 -37.16 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.966 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.19 -64.42 1.65 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.269 -0.732 . . . . 1.0 111.269 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -43.09 -55.3 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 1.0 111.151 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 41' ' ' SER . 18.9 tt -45.83 -27.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.774 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.3 p -83.94 -38.58 20.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.109 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.1 -53.12 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.959 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.44 -39.93 92.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.827 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.0 tp -75.66 -9.07 58.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.183 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m120 68.84 64.6 0.3 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.507 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.2 mt -143.12 158.28 43.75 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.828 -0.434 . . . . 1.0 109.828 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 54' ' ' SER . 92.1 p -79.52 114.48 18.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.564 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -58.85 -3.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.689 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 52' ' ' SER . 11.9 t -77.29 -42.51 36.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.517 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -77.48 -37.54 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.492 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.6 t -44.26 -69.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.7 p -45.75 -34.62 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.958 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -78.57 -31.21 47.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.993 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.28 -57.48 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.745 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.21 -39.72 66.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.809 0.338 . . . . 1.0 110.599 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -42.59 -62.14 1.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.073 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 tp -44.93 -57.17 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.731 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.6 mp -52.84 -49.28 66.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.431 -177.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -43.72 -36.45 2.23 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.93 -0.308 . . . . 1.0 111.11 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p -83.5 -17.91 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.131 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 90.7 t -76.31 -16.69 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.504 -0.316 . . . . 1.0 111.067 -178.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.468 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 4.1 m80 75.73 18.61 2.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.76 0.314 . . . . 1.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' ' 68' ' ' LEU . 3.4 tt -87.28 -73.34 0.48 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.445 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.9 m -78.78 152.13 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.226 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -130.72 122.58 27.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.938 -0.574 . . . . 1.0 109.889 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.76 171.19 10.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.023 0.439 . . . . 1.0 111.221 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -139.99 138.56 35.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.918 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.96 116.1 12.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.947 0.403 . . . . 1.0 110.488 -178.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -160.16 73.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.38 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.87 -66.72 0.35 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.459 -1.056 . . . . 1.0 110.459 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -169.56 -66.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 1.0 110.543 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 78' ' ' MET . 47.6 t -63.03 -167.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.485 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.443 ' N ' ' OG ' ' A' ' 77' ' ' SER . 27.4 mtp -141.6 98.09 3.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.318 -0.401 . . . . 1.0 109.945 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.734 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.9 mp -84.66 101.01 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.552 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -66.18 156.0 35.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.343 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -163.81 135.78 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.005 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.602 ' N ' HD12 ' A' ' 82' ' ' LEU . 8.1 mp -86.72 82.11 7.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.968 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.32 -17.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.713 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 82' ' ' LEU . 33.5 m-20 -88.71 149.38 23.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.563 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.6 pt -109.97 -27.51 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.579 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -53.69 -51.99 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.876 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 t -44.71 -45.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.871 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.6 -41.18 69.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.69 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 m -73.28 -48.84 31.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.727 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 mmt -36.75 -49.6 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 1.0 112.064 -177.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 91' ' ' LEU . 7.4 mp -75.64 -36.17 60.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 1.0 110.421 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -63.0 -62.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.852 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.436 ' OE1' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -52.25 -32.88 39.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.895 -178.838 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.436 ' N ' ' OE1' ' A' ' 93' ' ' GLN . . . -64.76 -57.26 9.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.647 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 95' ' ' ILE . 74.1 mt -75.34 -6.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.655 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -69.02 -57.94 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.506 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.6 m170 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.675 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.696 0.284 . . . . 1.0 110.545 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.9 p -63.15 -41.4 99.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.711 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.63 -44.52 96.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.617 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.58 -15.67 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.987 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -77.8 -55.95 4.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.356 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.22 -17.94 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 1.0 110.694 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.7 p -73.83 -33.82 64.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.237 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -66.39 -28.36 68.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.481 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mt -65.96 -58.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.807 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 43.9 m-85 -61.28 -44.44 97.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.012 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.506 ' CB ' ' NZ ' ' B' ' 21' ' ' LYS . 5.3 ttpm? -60.12 -14.57 17.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.008 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.19 -40.95 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.664 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -55.97 156.49 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.726 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.87 -110.11 0.33 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -72.68 137.99 46.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 1.0 110.712 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' B' ' 27' ' ' ASN . 18.5 p90 -59.93 -35.84 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.756 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.422 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 23.8 m120 -46.6 -22.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 1.0 110.461 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.541 HH21 ' CG2' ' B' ' 31' ' ' ILE . 5.3 tpm_? -63.97 -36.52 84.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.448 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.33 -52.66 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.768 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -49.6 -36.54 24.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.006 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.541 ' CG2' HH21 ' B' ' 28' ' ' ARG . 95.1 mt -72.16 -72.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.147 -178.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 15.1 ptm -45.14 -29.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.87 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.22 -66.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 1.0 110.488 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.55 -30.45 60.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.737 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.521 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -68.31 -37.41 80.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.217 0.532 . . . . 1.0 109.598 179.271 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.8 m -46.93 -21.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.257 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.409 ' N ' ' C ' ' B' ' 35' ' ' LEU . 9.9 t -151.19 64.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.939 177.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -174.51 -166.03 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.844 0.354 . . . . 1.0 110.731 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -179.4 129.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.014 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.38 -177.79 5.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 1.0 111.072 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 43.4 m -76.45 -179.6 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.376 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 m -83.48 -34.97 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.829 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.32 -62.23 1.5 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.101 -0.8 . . . . 1.0 111.101 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -44.65 -48.66 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 1.0 110.881 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 11.0 tt -53.14 -24.43 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.815 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.5 m -80.73 -54.04 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.894 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -44.58 -51.19 9.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.969 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -60.86 -46.0 92.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.028 -178.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 mt -78.72 -3.0 42.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.358 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.4 25.56 4.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.846 0.313 . . . . 1.0 111.846 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.02 141.23 29.06 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.491 ' C ' ' H ' ' B' ' 54' ' ' SER . 10.2 t -80.28 126.36 31.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.506 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.61 -2.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.306 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.491 ' H ' ' C ' ' B' ' 52' ' ' SER . 59.4 m -80.08 -46.63 16.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.899 0.381 . . . . 1.0 110.52 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -80.45 -33.47 36.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.825 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 59' ' ' GLN . 92.4 t -45.8 -73.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.699 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -41.15 -43.84 2.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.296 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -66.82 -29.89 69.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.572 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' B' ' 56' ' ' VAL . 40.6 tp60 -63.73 -61.91 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.093 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.59 -44.51 65.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 1.0 110.955 -178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -43.92 -63.33 0.88 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.912 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -45.15 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.837 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.644 ' H ' HD12 ' B' ' 63' ' ' LEU . 7.5 mp -47.33 -53.74 12.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.862 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -40.15 -42.99 1.56 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.749 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -78.41 -18.82 54.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.475 -0.33 . . . . 1.0 111.357 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' B' ' 67' ' ' HIS . 60.6 t -79.47 -12.68 13.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.996 -0.282 . . . . 1.0 111.327 -178.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' B' ' 66' ' ' VAL . 6.6 t60 87.29 22.02 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 122.636 0.374 . . . . 1.0 111.175 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 40.1 mt -89.61 -74.07 0.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.745 0.307 . . . . 1.0 110.735 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 20.2 t -83.18 146.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.905 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -117.29 129.14 55.71 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.918 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.72 160.49 17.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.698 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -147.34 140.04 24.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.115 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -132.24 117.51 18.32 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.585 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -155.75 76.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.912 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.66 -74.13 0.28 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.788 -1.325 . . . . 1.0 109.788 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -171.99 -50.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 1.0 110.216 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -62.42 -167.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.201 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 25.9 ttt -131.19 86.05 2.33 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.779 -0.452 . . . . 1.0 109.779 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.539 ' O ' HG23 ' B' ' 79' ' ' ILE . 15.4 tt -85.52 102.31 11.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.824 -177.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -93.09 165.07 13.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.072 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.6 p -154.6 152.97 30.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 84' ' ' ASP . 14.5 mt -68.89 -18.48 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.835 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 57.51 -79.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.569 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' B' ' 82' ' ' LEU . 0.7 OUTLIER -67.95 100.28 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 1.0 110.607 179.669 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.66 -15.13 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.543 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -56.0 -23.15 31.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.582 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.4 t -76.51 -25.05 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.575 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.81 -24.85 41.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.365 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 67.4 p -78.49 -53.93 6.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.877 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' B' ' 90' ' ' MET . 0.0 OUTLIER -54.74 -26.47 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.566 -179.399 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 tp -75.12 -49.41 19.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.238 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -62.28 -42.62 99.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.489 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -55.57 -30.72 61.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.277 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.11 -45.29 61.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.437 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.453 HG22 ' O ' ' B' ' 95' ' ' ILE . 86.3 mt -76.61 -11.08 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.312 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -73.4 -38.17 65.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.621 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 21.2 m170 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.511 179.82 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.906 0.384 . . . . 1.0 110.666 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.3 p -73.53 -59.45 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.8 mt -81.04 -12.61 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.529 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.91 -21.42 43.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.551 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -69.71 -62.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.761 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.0 m -61.75 -16.16 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.557 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.8 m -74.9 -39.94 61.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.485 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -62.34 -33.1 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.276 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 19.1 mt -61.55 -62.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.635 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -57.66 -44.33 85.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.682 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -59.36 -20.09 51.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.859 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -71.13 -42.79 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.663 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -51.9 156.3 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.518 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.3 -76.89 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.855 -0.898 . . . . 1.0 110.855 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -73.21 179.51 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 1.0 110.545 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.492 ' CG ' ' N ' ' A' ' 27' ' ' ASN . 27.6 p90 -99.77 -48.6 4.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.056 0.455 . . . . 1.0 109.995 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.492 ' N ' ' CG ' ' A' ' 26' ' ' TYR . 13.6 p-10 -65.18 2.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HE ' HD11 ' A' ' 63' ' ' LEU . 56.2 ttt-85 -63.85 -29.04 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.576 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 31' ' ' ILE . 42.0 mt -77.17 -54.37 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.705 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -42.0 -19.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.218 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 29' ' ' ILE . 6.6 mm -76.27 -41.38 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' ILE . 46.2 mtt -70.24 -35.94 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.871 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.84 -33.52 76.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.934 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.1 tp -78.93 -39.67 34.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.761 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -62.31 -30.64 71.3 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.5 t -38.68 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.419 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' LEU . 4.0 p -176.27 82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.069 177.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -153.33 -77.72 0.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.267 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 61.69 108.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.949 -0.389 . . . . 1.0 109.949 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.01 -176.83 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.917 0.389 . . . . 1.0 110.926 -177.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -65.11 167.1 8.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.364 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 43' ' ' GLY . 13.6 m -83.41 -35.96 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 1.0 111.042 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.99 -48.78 5.61 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.476 -0.65 . . . . 1.0 111.476 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -42.21 -52.89 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 1.0 111.13 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.5 pt -51.71 -26.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.775 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' GLY . 6.2 t -69.78 -73.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.977 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -57.89 -49.78 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.109 -178.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -50.05 -56.87 9.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.144 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 50' ' ' ASN . 31.1 mt -78.42 20.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.178 -178.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER 54.16 15.93 1.05 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.687 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.0 mt -88.59 149.92 23.32 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.994 -0.372 . . . . 1.0 109.994 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 54' ' ' SER . 17.9 p -83.13 136.12 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.302 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -63.9 9.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.77 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 52' ' ' SER . 37.8 p -74.83 -33.71 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.7 0.286 . . . . 1.0 111.023 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 57' ' ' SER . 15.5 p-10 -83.68 -47.04 11.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.202 -178.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 56' ' ' VAL . 5.7 m -54.1 -2.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.806 -178.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 55' ' ' ASN . 7.6 t -95.32 -60.52 1.65 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.945 0.403 . . . . 1.0 110.203 177.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.464 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 41.0 t-80 -79.07 -16.07 57.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.0 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.76 -70.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.144 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.68 -44.75 69.97 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.778 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -40.92 -65.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.356 . . . . 1.0 111.175 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 65' ' ' SER . 11.3 tp -51.47 -68.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.944 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.523 HD11 ' HE ' ' A' ' 28' ' ' ARG . 8.5 mp -41.1 -50.89 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.014 -177.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -57.84 -26.62 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.493 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 62' ' ' LEU . 7.5 t -80.59 -44.79 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.215 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.29 -2.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.618 -0.264 . . . . 1.0 110.923 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 68.93 14.52 8.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.328 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.3 mt -82.27 0.56 40.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.671 -0.24 . . . . 1.0 110.603 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -152.12 135.07 6.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.966 0.412 . . . . 1.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -98.77 119.84 38.2 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.216 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.73 172.95 8.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.68 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -149.9 132.56 15.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.318 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.524 ' CD ' ' N ' ' A' ' 73' ' ' ARG . 8.7 mpt_? -91.46 114.08 26.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.506 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 77' ' ' SER . 32.1 tt0 -131.06 112.38 12.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.446 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.49 -148.97 48.87 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -68.63 -50.07 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 1.0 110.378 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 78' ' ' MET . 35.1 t -82.57 -167.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.904 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.477 ' N ' ' OG ' ' A' ' 77' ' ' SER . 17.4 ptt? -154.71 163.43 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.013 -0.366 . . . . 1.0 110.013 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.6 mt -133.1 123.4 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.894 0.378 . . . . 1.0 110.273 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.671 ' CE2' HD23 ' A' ' 35' ' ' LEU . 40.2 p90 -86.49 155.63 20.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.287 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.7 m -158.9 152.21 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.002 0.43 . . . . 1.0 111.051 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.7 mt -81.56 -39.9 23.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.687 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t70 70.44 -55.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.68 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -54.69 95.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.496 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 tp -62.83 -19.03 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.56 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -68.11 -61.71 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.65 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.4 t -46.65 -41.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.738 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.86 87.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.783 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -72.92 -49.84 27.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.658 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.0 mmt -44.77 -33.96 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.869 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.402 ' C ' HD13 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -68.02 -62.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.077 -179.794 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -45.18 -53.65 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.784 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -46.34 -35.5 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.647 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.49 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.562 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.6 mm -75.35 -7.0 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.58 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -88.67 -24.73 22.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.83 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.1 t60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.898 -178.889 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 42.8 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 1.0 110.742 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -57.31 -43.14 83.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.775 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tp -76.55 -33.71 58.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.602 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' B' ' 17' ' ' THR . 39.7 tp10 -47.24 -44.31 22.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.06 -179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -68.15 -29.32 68.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.844 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.6 t -74.42 -25.35 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.893 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 68.1 p -74.13 -28.07 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.196 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.58 -39.18 88.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.476 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mm -53.7 -52.96 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -75.19 -44.35 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.914 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.71 -10.34 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.717 0.294 . . . . 1.0 110.776 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.29 -44.54 16.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.956 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.0 mt -48.6 153.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.768 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.65 -88.63 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.824 -0.91 . . . . 1.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 0.8 OUTLIER -81.16 109.23 15.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 1.0 110.688 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.484 ' C ' ' H ' ' B' ' 28' ' ' ARG . 17.2 p90 -47.49 -31.28 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.101 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.411 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 50.4 p-10 -56.12 -5.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.771 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.484 ' H ' ' C ' ' B' ' 26' ' ' TYR . 8.9 ptm180 -65.53 -24.73 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.012 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.95 -55.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.742 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -43.15 -32.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.094 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' B' ' 34' ' ' LEU . 48.0 mt -66.14 -70.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.551 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 39.5 mtt -42.28 -30.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.282 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.05 -34.37 76.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.839 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' B' ' 38' ' ' SER . 10.2 tp -77.46 -39.58 46.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.821 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.525 HD22 ' N ' ' B' ' 35' ' ' LEU . 3.2 mm? -67.22 -38.07 84.65 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.903 -0.319 . . . . 1.0 110.443 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -42.1 -25.98 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.27 . . . . 1.0 111.264 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.446 ' O ' HG13 ' B' ' 37' ' ' VAL . 7.1 p -162.9 68.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.562 0.696 . . . . 1.0 110.729 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' B' ' 34' ' ' LEU . 11.9 p -174.02 -171.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.431 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -177.93 127.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.266 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -177.91 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.815 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -69.57 170.94 9.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.407 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 t -80.03 -25.61 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.855 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.7 -47.07 2.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.431 -0.667 . . . . 1.0 111.431 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -41.43 -51.13 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.0 111.509 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.409 HD13 HG21 ' B' ' 45' ' ' ILE . 18.3 pt -55.4 -23.95 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.156 -178.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 40.0 p -70.91 -69.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 1.0 111.144 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.526 ' N ' ' OG ' ' B' ' 46' ' ' SER . 42.0 t-80 -52.24 -49.94 63.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.012 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' B' ' 50' ' ' ASN . 43.0 tt0 -53.58 -66.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.127 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.13 7.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.208 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' B' ' 48' ' ' GLN . 4.7 m120 59.0 59.54 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.769 0.318 . . . . 1.0 110.891 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.5 mt -133.63 152.31 51.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.831 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.454 ' C ' ' H ' ' B' ' 54' ' ' SER . 22.8 p -78.61 111.6 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.427 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -60.79 -0.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.707 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.454 ' H ' ' C ' ' B' ' 52' ' ' SER . 10.1 t -74.93 -41.1 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.455 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' B' ' 59' ' ' GLN . 7.3 m-20 -84.72 -38.06 20.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.669 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' B' ' 59' ' ' GLN . 87.6 t -44.01 -77.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.938 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.2 m -43.48 -44.24 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.067 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -26.55 65.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.504 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' B' ' 55' ' ' ASN . 54.2 tp60 -71.58 -42.5 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.772 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.21 -40.79 86.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.634 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -47.98 -56.91 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.327 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.71 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.326 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.5 mt -36.58 -51.78 0.85 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.798 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -49.76 -48.39 50.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.845 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.3 t -62.18 -40.52 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.022 -178.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.543 ' O ' ' CG ' ' B' ' 67' ' ' HIS . 3.1 t -75.68 13.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.578 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' B' ' 66' ' ' VAL . 3.2 p80 52.97 18.75 1.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.151 0.426 . . . . 1.0 112.151 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.9 mt -79.81 -14.17 58.88 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 97.5 t -152.48 148.82 14.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.111 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -128.39 128.59 44.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.823 0.344 . . . . 1.0 110.412 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.77 172.24 9.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.444 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -146.3 144.51 29.87 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.005 0.431 . . . . 1.0 110.545 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.3 ptt85 -139.62 103.86 4.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.696 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -145.89 88.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.58 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 96.24 103.47 2.06 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 -175.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.477 ' N ' ' CD ' ' B' ' 76' ' ' GLN . 1.7 pm0 -20.71 84.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.64 0.776 . . . . 1.0 113.066 -176.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.46 ' N ' ' O ' ' B' ' 75' ' ' GLY . 19.2 m -175.99 91.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.863 -0.792 . . . . 1.0 108.863 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -71.54 115.92 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.439 -174.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 12.4 pt -147.22 129.8 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.138 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -106.56 168.24 9.3 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.026 0.441 . . . . 1.0 111.467 -176.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 16.0 t -169.99 160.78 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.672 -0.694 . . . . 1.0 110.782 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 56.0 tp -91.15 91.36 8.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 1.0 109.978 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -69.87 -8.72 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.179 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 2.5 m-20 -75.64 100.4 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.787 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.18 -41.88 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.593 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -56.43 -69.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.831 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 32.9 t -45.27 -51.87 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.975 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.32 -57.03 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.167 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 29.9 p -70.91 -46.9 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.812 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 24.1 ttt -46.25 -31.67 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.736 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.6 tp -72.64 -51.21 20.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.212 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -59.74 -39.38 84.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.308 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -55.62 -29.64 59.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.389 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.48 -48.22 42.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.513 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.442 HG22 ' O ' ' B' ' 95' ' ' ILE . 70.0 mt -78.71 -8.81 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.332 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.13 -38.53 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.491 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 28.3 m170 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.463 179.898 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.871 0.367 . . . . 1.0 110.577 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.1 m -82.19 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.761 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.43 -30.58 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.519 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -49.14 -58.46 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.884 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -64.76 -24.52 67.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.183 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -73.06 -25.3 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.984 0.421 . . . . 1.0 110.213 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.8 m -77.54 -22.86 50.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.034 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.41 -40.15 89.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.177 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.61 -59.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.35 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -57.29 -42.04 80.94 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.45 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -53.58 -24.19 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.444 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.83 55.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.481 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.1 mt -46.14 133.27 9.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.491 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.25 -10.17 0.05 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.239 -0.744 . . . . 1.0 111.239 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -168.45 109.52 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 1.0 110.612 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -50.46 -26.34 4.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.754 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -63.17 -11.11 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.611 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 29' ' ' ILE . 40.0 ptt85 -62.87 -42.06 99.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.65 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 28' ' ' ARG . 46.8 mm -54.37 -50.79 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.148 178.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -54.19 -49.87 68.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.586 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' LEU . 77.6 mt -64.37 -63.44 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.743 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.5 mtp -44.72 -31.41 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.966 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -68.84 -31.46 70.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.939 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' ILE . 34.9 tp -83.27 -43.65 15.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.721 -178.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.49 -19.46 64.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 1.0 110.699 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.48 ' O ' HG13 ' A' ' 37' ' ' VAL . 43.7 t -70.6 -17.22 62.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.546 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 36' ' ' SER . 16.8 m -158.69 51.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.4 t 163.44 89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 1.0 110.089 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -74.73 151.49 39.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.674 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.18 -177.84 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.695 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 t -79.96 -173.17 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.387 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 43' ' ' GLY . 17.5 m -82.75 -42.08 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.76 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.53 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -81.8 -45.71 7.09 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.101 -0.799 . . . . 1.0 111.101 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -45.53 -30.58 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.659 0.266 . . . . 1.0 110.817 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.2 mt -79.11 -25.29 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.934 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLY . 11.0 t -70.84 -42.25 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.993 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -77.22 -49.12 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 1.0 111.212 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.495 ' C ' ' H ' ' A' ' 50' ' ' ASN . 68.2 mm-40 -66.07 -56.5 11.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.1 -178.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -70.53 11.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.223 -178.03 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.518 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 6.2 p-10 45.02 72.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.194 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.84 149.84 37.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.232 -0.655 . . . . 1.0 109.232 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 54' ' ' SER . 14.6 t -77.78 122.61 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -2.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.507 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.503 ' H ' ' C ' ' A' ' 52' ' ' SER . 26.7 t -74.95 -52.53 10.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 1.0 110.923 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.28 -28.08 42.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.058 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.01 -80.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.917 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 t -44.18 -48.91 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.06 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -56.33 -24.08 41.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.856 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -66.94 -52.16 46.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.91 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -50.73 -46.51 59.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.843 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -42.31 -72.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.021 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 48.6 tp -55.89 -73.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.462 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.53 HD11 ' CD2' ' A' ' 68' ' ' LEU . 20.0 tp -37.86 -50.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.892 -176.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -65.76 -48.81 70.59 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.867 -0.333 . . . . 1.0 111.137 -178.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.5 m -53.16 -19.29 2.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.213 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 66' ' ' VAL . 83.9 t -81.23 -8.1 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.046 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 18.6 t-80 82.59 16.83 0.35 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.646 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.53 ' CD2' HD11 ' A' ' 63' ' ' LEU . 20.9 tp -75.42 -88.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.409 . . . . 1.0 109.932 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.98 157.2 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 1.0 110.848 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -115.93 121.17 41.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.111 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.94 162.35 16.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.826 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -148.16 141.86 25.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.912 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 ptt85 -139.65 123.1 17.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.938 0.399 . . . . 1.0 110.611 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -160.5 97.51 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 100.28 102.39 2.48 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 44.07 -88.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.675 0.274 . . . . 1.0 111.236 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 75' ' ' GLY . 48.4 t -71.75 -167.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.659 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -153.04 144.5 23.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.771 179.662 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.6 mt -120.21 113.87 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 120.805 0.335 . . . . 1.0 110.363 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -98.07 144.06 27.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.5 p -158.06 179.63 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.203 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -171.15 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.163 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -158.5 -36.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.559 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.49 104.27 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 1.0 110.526 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.1 tp -75.24 -24.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.494 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -56.86 -62.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.809 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -55.95 -36.12 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.812 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.51 -47.25 76.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.777 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 49.2 p -75.62 -41.72 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.554 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.6 ttm -51.38 -33.21 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.544 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' ' 91' ' ' LEU . 3.0 tt -68.7 -59.7 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.065 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -48.9 -45.0 40.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.554 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -55.77 -25.39 40.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.585 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -76.73 -46.59 24.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.392 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.5 mm -65.32 -5.35 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.41 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -92.19 -55.67 3.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.604 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.906 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.776 0.322 . . . . 1.0 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' B' ' 13' ' ' LEU . 29.8 p -70.0 -61.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.735 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.447 HD23 ' O ' ' B' ' 13' ' ' LEU . 3.2 tt -46.58 -53.43 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.259 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' THR . 65.1 mt-10 -45.11 -54.08 7.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.966 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -46.25 -41.55 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.743 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 t -65.36 -23.45 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.603 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.442 ' N ' ' O ' ' B' ' 14' ' ' GLU . 7.1 m -72.15 -23.27 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.416 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.21 -33.3 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.473 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.61 -42.26 80.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.459 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -75.97 -39.26 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.594 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -58.25 -23.59 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -53.66 55.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.655 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 mt -39.2 123.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.404 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.404 ' H ' ' HG3' ' B' ' 28' ' ' ARG . . . -85.18 -122.95 1.18 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -81.62 -135.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 1.0 110.601 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.423 ' C ' ' H ' ' B' ' 28' ' ' ARG . 52.8 m-85 -100.05 -50.74 3.89 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 1.0 110.141 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -65.38 3.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.768 -0.651 . . . . 1.0 111.043 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.544 ' HE ' ' N ' ' B' ' 29' ' ' ILE . 1.9 tmm_? -60.97 -59.03 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 1.0 110.037 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.581 HG23 ' N ' ' B' ' 30' ' ' ARG . 8.6 tp -53.84 -48.59 61.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.325 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.581 ' N ' HG23 ' B' ' 29' ' ' ILE . 90.1 mtt180 -41.11 -45.33 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.181 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.09 -54.0 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.406 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 2.5 tpt -44.31 -29.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.892 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.68 -66.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.618 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.53 -33.33 63.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.083 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' B' ' 37' ' ' VAL . 37.6 tp -64.2 -25.58 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 60.7 p -47.23 -18.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.331 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' B' ' 35' ' ' LEU . 3.5 p -177.11 82.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.324 0.583 . . . . 1.0 110.16 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 90.0 p -169.61 49.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.056 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -47.97 126.85 11.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.329 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -178.49 6.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.652 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.1 t -69.37 163.08 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.504 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.435 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.2 p -74.9 -38.89 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.376 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.435 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -83.85 -60.94 1.9 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.665 -0.574 . . . . 1.0 111.665 -177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -40.7 -55.66 2.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 1.0 111.349 -177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 tt -46.43 -29.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.596 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 14.5 p -75.62 -61.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.191 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.491 ' N ' ' OG ' ' B' ' 46' ' ' SER . 27.2 m80 -50.7 -53.66 29.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.063 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -52.18 -57.39 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.043 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 mt -73.99 8.68 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.021 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 m120 58.41 70.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 1.0 111.168 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 63.9 mt -136.94 145.62 44.46 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.809 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.473 ' C ' ' H ' ' B' ' 54' ' ' SER . 32.3 t -81.62 123.71 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.563 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -62.64 3.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.147 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.473 ' H ' ' C ' ' B' ' 52' ' ' SER . 18.4 m -80.53 -49.6 11.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 1.0 110.455 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' B' ' 59' ' ' GLN . 17.0 t-20 -84.92 -44.62 13.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.916 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 59' ' ' GLN . 93.3 t -41.53 -80.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.31 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -41.75 -45.36 3.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.237 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -68.74 -23.33 64.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.592 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' B' ' 56' ' ' VAL . 16.9 tt0 -71.87 -44.58 63.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.82 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.18 -42.98 96.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 1.0 110.51 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -47.0 -49.07 21.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.352 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.47 ' C ' HD23 ' B' ' 62' ' ' LEU . 2.0 tt -54.8 -72.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 1.0 109.899 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 mt -40.15 -51.47 2.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.242 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -60.07 -27.03 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.189 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.438 ' N ' ' O ' ' B' ' 62' ' ' LEU . 15.9 m -76.34 -24.46 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.977 -0.289 . . . . 1.0 111.031 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' B' ' 67' ' ' HIS . 2.4 t -77.87 9.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.696 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' B' ' 66' ' ' VAL . 9.1 p-80 58.29 15.13 3.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.651 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 70.1 mt -86.27 -68.87 0.71 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.867 0.365 . . . . 1.0 110.084 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 t -86.1 145.51 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.876 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -122.91 -175.1 3.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.052 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.15 129.82 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.786 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -89.6 136.28 33.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.571 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -79.15 114.09 17.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.572 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -132.78 102.12 5.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.33 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.12 -148.1 48.52 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.873 . . . . 1.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -60.83 -61.05 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 1.0 110.544 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.445 ' C ' ' SD ' ' B' ' 78' ' ' MET . 20.6 t -78.2 -174.96 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.787 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.567 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.7 mpt? -143.07 132.7 23.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.133 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 15.4 mm -88.15 118.01 32.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.944 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -76.41 153.1 35.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.199 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.2 t -169.81 158.39 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 1.0 110.769 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -76.23 -153.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.652 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -158.5 -49.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.11 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -81.6 96.45 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.125 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.611 ' C ' HD12 ' B' ' 85' ' ' ILE . 2.3 pp -69.51 -2.5 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.685 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.588 ' N ' HD12 ' B' ' 85' ' ' ILE . 20.4 m80 -79.07 -33.64 44.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.307 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 63.6 t -71.82 -40.75 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.589 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.57 -46.6 80.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.392 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 39.9 p -70.21 -43.67 70.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.52 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 27.1 ttt -52.5 -28.29 19.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.552 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.468 HD23 ' O ' ' B' ' 91' ' ' LEU . 2.2 tt -73.93 -59.3 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 1.0 109.958 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -53.65 -33.61 55.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.245 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -61.83 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.278 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.69 -48.67 30.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.514 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.47 HG22 ' O ' ' B' ' 95' ' ' ILE . 87.0 mt -76.14 -8.52 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.555 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -82.29 -36.37 27.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.597 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.637 -179.68 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 1.0 110.841 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -87.48 -59.56 2.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.452 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.6 mt -79.08 -30.6 44.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.438 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -50.57 -43.89 56.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.778 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -67.46 -36.86 82.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 1.0 110.569 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.2 t -68.49 -23.99 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.015 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.3 p -82.13 -17.43 46.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.509 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -79.38 -32.93 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.62 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.87 -60.38 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.752 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' CD1' ' B' ' 23' ' ' LEU . 64.2 m-85 -58.03 -42.27 84.99 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.842 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -58.81 -32.94 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.698 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.93 97.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.898 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp -37.38 118.53 0.64 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.457 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.03 -139.0 7.99 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.057 -0.817 . . . . 1.0 111.057 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -78.67 147.64 33.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 1.0 110.714 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.475 ' C ' ' H ' ' A' ' 28' ' ' ARG . 9.1 m-85 -45.3 -38.21 5.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.883 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -49.61 -11.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.475 ' H ' ' C ' ' A' ' 26' ' ' TYR . 62.2 ttt180 -64.77 -52.34 57.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.787 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.5 mt -50.63 -56.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.774 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.9 mtp-105 -45.16 -66.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.891 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.63 -54.54 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.668 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 32' ' ' MET . 1.6 tmt? -49.18 -34.26 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.85 -179.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.72 -67.77 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.056 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.08 -32.54 73.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.731 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.96 -17.38 61.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.43 . . . . 1.0 110.273 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.9 p -80.38 -14.02 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.591 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.9 t -157.36 89.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 1.0 109.756 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 39' ' ' GLU . 4.2 t 179.84 -53.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.28 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' SER . 14.1 mm-40 56.16 107.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 1.0 110.123 -177.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.11 -177.01 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.834 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -69.71 169.46 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.516 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.4 m -80.94 -34.83 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.91 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.36 -58.88 2.11 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.235 -0.746 . . . . 1.0 111.235 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -44.07 -53.99 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 1.0 110.968 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 tt -47.74 -29.08 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.685 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -76.25 -62.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.152 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -56.82 -49.9 74.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.122 -178.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -47.54 -50.35 23.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.877 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.2 17.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.051 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 55.01 76.83 0.24 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 1.0 110.561 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.1 tp -155.46 156.52 35.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.282 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -78.58 113.18 16.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.606 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.495 ' C ' ' H ' ' A' ' 55' ' ' ASN . 22.7 tt0 -48.67 -51.1 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.983 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 p -50.28 -9.16 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.036 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.495 ' H ' ' C ' ' A' ' 53' ' ' GLN . 23.6 t-20 -81.31 -59.73 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.447 -178.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 57' ' ' SER . 3.1 m -51.4 -48.63 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.978 -176.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 56' ' ' VAL . 58.5 m -42.86 -42.13 3.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.359 . . . . 1.0 111.07 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -78.91 -31.25 45.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.643 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -69.36 -54.32 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.175 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -56.64 -46.48 80.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.075 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.444 ' CB ' ' HZ2' ' A' ' 61' ' ' LYS . 7.7 ttpm? -42.02 -61.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.355 -177.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.4 tp -51.7 -70.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.688 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.9 mp -42.49 -53.71 4.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.811 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -44.3 -44.05 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.836 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.53 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 14.3 t -69.75 -18.9 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.401 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.474 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 25.5 t -80.29 -7.04 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.952 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.53 ' CE1' ' O ' ' A' ' 65' ' ' SER . 1.7 m-70 78.6 18.74 0.96 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.39 178.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.9 mt -81.36 -81.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 1.0 110.269 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.1 m -77.14 154.62 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.601 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -127.72 128.01 44.65 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.214 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.9 127.01 35.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.958 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -96.08 137.8 34.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.293 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -80.63 105.32 11.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.669 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' SER . 61.0 mt-30 -139.98 125.25 18.85 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.963 0.411 . . . . 1.0 110.985 -178.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 33.52 98.57 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 CA-C-N 115.47 -0.787 . . . . 1.0 112.384 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 52.8 -83.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.673 0.273 . . . . 1.0 111.12 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 75' ' ' GLY . 35.9 p -63.75 -177.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.69 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 77' ' ' SER . 9.9 mmt -128.46 114.19 16.48 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 109.933 -0.395 . . . . 1.0 109.933 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.0 mt -79.06 115.13 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.332 . . . . 1.0 110.706 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -72.96 147.54 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.651 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -160.69 147.03 15.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.716 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -84.99 129.06 34.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.5 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -81.7 -55.3 4.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.585 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -81.49 97.85 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.537 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 pt -78.56 15.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.66 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.99 -59.77 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.76 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 m -53.41 -27.25 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.53 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.11 99.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.74 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 58.9 p -76.66 -23.51 53.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.915 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 61.8 mmm -75.6 -29.09 59.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.668 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 23.5 tp -73.56 -47.51 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.408 ' HZ2' ' HB3' ' A' ' 92' ' ' LYS . 16.1 mtpp -52.6 -59.49 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.906 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -47.78 -27.72 2.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.741 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -69.77 -36.04 75.43 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.527 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.0 mm -76.71 -7.46 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.776 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -83.87 -61.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 1.0 110.631 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.755 -179.641 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.82 0.343 . . . . 1.0 110.587 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.1 p -69.94 -60.38 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.023 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.8 mt -77.88 -22.32 49.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.12 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -58.54 -37.69 76.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 1.0 111.074 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ttm105 -58.03 -58.22 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 1.0 110.937 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 m -64.76 -15.72 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.866 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -80.87 -27.12 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.059 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -72.24 -35.62 68.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.084 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 pt -68.49 -40.66 82.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.448 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -61.71 -42.2 98.62 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.229 -0.588 . . . . 1.0 110.47 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -61.74 -22.33 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.826 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.58 92.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.676 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 16.5 mt -50.86 146.26 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.543 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.2 -104.77 0.33 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.59 -1.004 . . . . 1.0 110.59 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -77.73 130.2 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 1.0 110.473 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' B' ' 28' ' ' ARG . 40.0 p90 -57.33 -33.83 68.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.777 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -46.45 -15.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.73 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' B' ' 26' ' ' TYR . 16.5 mtp180 -63.02 -37.04 85.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.609 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.4 -51.71 64.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.813 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -47.48 -53.43 14.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.131 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 pt -68.9 -41.65 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.175 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.0 mtt -57.55 -36.28 71.42 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.951 -0.3 . . . . 1.0 110.605 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -70.56 -26.72 63.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.885 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -80.16 -42.5 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.224 -178.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.07 -17.5 61.41 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.687 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 29.7 t -73.08 -18.68 61.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 1.0 110.347 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 t -148.3 56.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.184 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.7 p -174.19 178.81 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.386 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -157.44 121.56 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.071 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.97 -177.71 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -76.92 -173.27 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.547 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.52 HG13 ' N ' ' B' ' 43' ' ' GLY . 13.5 p -92.78 -41.87 12.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.225 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.52 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -86.78 -21.36 50.89 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.511 -0.636 . . . . 1.0 111.511 -177.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -73.95 -40.38 63.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.724 0.297 . . . . 1.0 110.834 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 pt -69.25 -21.05 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.892 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 27.7 p -78.17 -42.83 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.052 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.46 -52.09 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.95 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -54.83 -49.93 69.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.004 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 34.6 mt -75.84 8.31 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 1.0 111.167 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 62.05 67.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.745 0.307 . . . . 1.0 110.962 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' B' ' 46' ' ' SER . 56.3 mt -136.48 144.94 44.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.876 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.455 ' C ' ' H ' ' B' ' 54' ' ' SER . 30.9 t -78.48 117.96 20.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.617 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -57.65 -3.79 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.058 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.455 ' H ' ' C ' ' B' ' 52' ' ' SER . 13.5 m -86.04 -24.02 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.565 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -92.05 -40.02 11.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.142 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.649 HG13 ' N ' ' B' ' 57' ' ' SER . 13.6 p -45.92 -55.95 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.832 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.649 ' N ' HG13 ' B' ' 56' ' ' VAL . 8.8 t -42.91 -40.59 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.779 0.323 . . . . 1.0 110.982 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' HIS . . . . . 0.487 ' N ' ' ND1' ' B' ' 58' ' ' HIS . 1.4 m-70 -74.65 -32.53 62.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.358 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.5 OUTLIER -59.65 -71.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.252 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 63' ' ' LEU . 12.4 mt -43.08 -58.59 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.228 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -37.22 -67.96 0.16 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.825 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp -59.6 -20.16 53.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.696 -178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.479 ' O ' HD13 ' B' ' 63' ' ' LEU . 0.2 OUTLIER -82.63 -46.47 13.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.659 -177.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' B' ' 66' ' ' VAL . 61.2 tttm -86.1 -26.43 25.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.081 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -66.05 6.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.763 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.488 ' H ' ' C ' ' B' ' 64' ' ' LYS . 46.6 t -114.53 -1.87 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.477 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.459 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 6.1 m-70 78.13 19.62 1.03 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.992 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 60.3 mt -80.92 -85.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.825 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 m -76.17 161.1 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.17 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -132.2 -163.47 1.34 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.694 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.2 -171.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 1.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -147.5 143.12 27.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.905 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -80.56 116.85 20.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.061 0.458 . . . . 1.0 110.666 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -128.73 91.43 3.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.676 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.24 -141.06 33.45 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -74.35 -37.96 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 1.0 110.661 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 55.2 p -80.21 -172.86 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.671 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 40.3 mtp -147.39 113.24 5.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.102 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.6 mt -85.04 110.04 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.727 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -78.81 154.4 29.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.615 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 5.7 m -166.61 150.04 7.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.581 ' N ' HD12 ' B' ' 82' ' ' LEU . 7.5 mp -82.39 113.98 20.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.972 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' B' ' 84' ' ' ASP . 7.2 p-10 -78.41 -64.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.713 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.454 ' H ' ' CG ' ' B' ' 83' ' ' ASP . 39.6 p-10 -68.43 99.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.754 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 pt -81.09 9.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.086 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -64.57 -54.46 31.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.801 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.37 -20.14 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.824 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.59 96.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.456 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 47.2 p -73.85 -41.69 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.389 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.8 mmt -58.27 -25.94 62.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.456 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.11 -43.39 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.424 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -65.01 -58.31 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.606 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -45.72 -36.78 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.761 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.16 -54.11 14.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.725 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.467 HG22 ' O ' ' B' ' 95' ' ' ILE . 72.4 mt -68.03 -5.44 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.681 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -77.01 -59.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.634 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.404 179.795 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.807 0.336 . . . . 1.0 110.771 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -103.97 -44.09 5.11 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.591 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.3 mt -79.1 -9.89 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.88 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' O ' ' OG1' ' A' ' 17' ' ' THR . 22.0 pt-20 -56.22 -14.97 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.541 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -81.92 -61.62 1.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.005 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.13 -17.51 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.538 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.45 ' HB ' ' HZ2' ' A' ' 21' ' ' LYS . 24.3 p -75.92 -50.09 15.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.476 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -50.94 -19.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.425 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 19' ' ' ILE . 12.3 mt -81.1 -62.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.119 -179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -57.91 -44.41 86.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.277 -177.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HZ2' ' HB ' ' A' ' 17' ' ' THR . 29.5 mtmm -57.19 -49.12 76.99 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.655 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.508 ' C ' ' H ' ' A' ' 24' ' ' GLY . . . -47.89 -39.79 19.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 1.0 110.403 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 25' ' ' ASP . 4.5 tp -63.44 9.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 1.0 111.625 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 22' ' ' ALA . . . -64.15 68.34 0.05 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' LEU . 12.2 t0 -177.63 159.3 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.77 -0.455 . . . . 1.0 109.77 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 11.6 m-85 -99.68 -52.36 3.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.007 0.432 . . . . 1.0 110.179 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -64.75 3.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.074 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 26' ' ' TYR . 1.2 tmm_? -53.98 -57.64 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.178 -0.305 . . . . 1.0 110.178 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.1 mt -65.68 -36.33 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.894 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -51.17 -60.11 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.801 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mm -49.7 -32.76 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.695 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.7 mmt -79.18 -17.57 54.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.087 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 37' ' ' VAL . 76.6 tt0 -73.68 -35.17 65.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.134 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.5 tp -91.38 -37.43 13.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.757 -178.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD23 ' C ' ' A' ' 35' ' ' LEU . 2.9 tt -67.65 -61.37 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.393 . . . . 1.0 110.475 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 t -43.79 -23.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.07 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 33' ' ' GLU . 97.1 t -79.72 -32.2 14.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.078 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 39' ' ' GLU . 21.4 p -164.33 -139.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.688 -0.405 . . . . 1.0 111.122 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.452 ' N ' ' OG ' ' A' ' 38' ' ' SER . 6.8 tp10 -149.94 148.5 29.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.175 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.39 -177.37 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.486 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.577 ' HG ' ' CG ' ' A' ' 44' ' ' HIS . 6.7 p -74.91 176.53 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.209 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 43' ' ' GLY . 16.0 m -78.44 -40.39 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.027 -178.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.488 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -82.23 -41.89 9.03 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CG ' ' HG ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -45.35 -30.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 1.0 110.788 -179.079 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.6 mt -79.72 -25.68 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.751 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' GLY . 47.6 p -67.85 -52.31 38.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.052 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -74.73 -49.62 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.138 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' C ' ' H ' ' A' ' 50' ' ' ASN . 97.3 mt-30 -58.42 -60.6 3.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.865 0.364 . . . . 1.0 111.056 -178.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -67.68 2.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.303 -177.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 48' ' ' GLN . 14.1 m120 57.94 77.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.556 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 tp -157.97 157.83 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.224 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.6 m -79.24 113.16 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.715 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -52.46 -49.06 65.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.007 0.432 . . . . 1.0 110.684 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -39.52 -34.84 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.271 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -84.05 -43.84 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.479 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.1 t -42.47 -68.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.017 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 t -45.59 -38.57 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.847 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -71.82 -30.19 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.059 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -70.59 -49.12 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.551 -0.295 . . . . 1.0 111.079 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 mt -53.0 -53.53 48.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 1.0 110.999 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -40.12 -54.65 2.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.431 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.71 -55.51 16.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.681 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 63' ' ' LEU . 7.5 mp -63.06 -57.66 9.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.648 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -46.16 -20.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.998 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 66' ' ' VAL . 12.1 p -81.25 -53.52 6.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.047 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.408 ' N ' ' OG ' ' A' ' 65' ' ' SER . 4.3 m -78.59 22.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.422 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 69.0 t60 61.59 19.73 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.851 0.686 . . . . 1.0 112.851 174.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.7 mt -75.44 -20.04 59.1 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.338 -0.545 . . . . 1.0 110.285 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -150.48 145.55 16.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.198 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 81' ' ' SER . 55.4 tttp -121.44 107.98 13.11 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.269 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.77 134.14 34.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.771 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.77 133.08 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.31 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -114.67 89.21 3.04 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.207 -0.452 . . . . 1.0 109.884 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -104.53 123.02 46.77 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.978 0.418 . . . . 1.0 110.282 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.44 -119.93 17.37 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.314 -0.714 . . . . 1.0 111.314 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -102.34 -35.03 8.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.784 0.326 . . . . 1.0 110.743 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 p -67.35 167.29 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.554 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.0 ptm -151.39 136.59 17.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.398 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 79' ' ' ILE . 13.1 mt -142.33 126.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.303 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.424 ' O ' ' OE2' ' A' ' 39' ' ' GLU . 57.9 m-85 -77.29 133.55 38.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 1.0 110.825 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 70' ' ' LYS . 37.9 p -140.54 133.05 28.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.654 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 tp -82.22 102.28 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.089 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 85' ' ' ILE . 8.7 t70 -72.1 -51.62 20.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.58 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.86 83.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.662 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' ASP . 9.8 tp -73.89 -24.88 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.466 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' THR . 64.8 t60 -67.76 -54.94 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.655 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.6 t -47.49 -22.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.409 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.75 -30.16 45.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' HIS . 42.9 m -75.84 -46.11 32.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.609 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.4 mtm -62.56 -24.07 67.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.674 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.4 -43.53 63.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.608 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.85 -63.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.734 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -45.63 -38.75 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.779 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.52 ' O ' ' CE1' ' A' ' 97' ' ' HIS . . . -63.7 -50.96 67.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.671 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 95' ' ' ILE . 71.1 mt -78.91 -9.28 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.719 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -77.42 -24.01 50.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.798 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.712 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.032 -0.359 . . . . 1.0 110.032 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -57.61 -41.02 80.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.186 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.47 -35.77 78.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.188 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -64.61 -27.88 69.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.961 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -68.43 -59.28 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 1.0 110.614 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.413 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 18.5 m -57.84 -10.52 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.59 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -82.06 -28.39 32.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.292 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -63.88 -41.86 97.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.9 -40.13 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.05 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 55.7 m-85 -75.46 -41.73 54.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.331 -0.548 . . . . 1.0 110.27 178.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -59.38 -28.5 66.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.336 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.18 95.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.514 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.0 mt -58.52 159.46 6.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.217 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.495 ' N ' ' NH1' ' B' ' 28' ' ' ARG . . . -179.93 -95.93 0.1 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' B' ' 27' ' ' ASN . 11.1 m-20 -52.5 102.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 1.0 110.786 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -46.29 -14.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.107 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' B' ' 25' ' ' ASP . 2.3 m-20 -70.65 -7.62 45.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 1.0 110.583 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.495 ' NH1' ' N ' ' B' ' 24' ' ' GLY . 94.2 mtt180 -76.7 -16.5 59.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.68 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mm -79.12 -69.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -41.96 -53.07 3.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.235 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.595 HG23 ' N ' ' B' ' 32' ' ' MET . 13.6 tt -56.79 -49.57 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.74 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.595 ' N ' HG23 ' B' ' 31' ' ' ILE . 26.8 ttt -47.31 -36.1 8.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.303 . . . . 1.0 110.762 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -65.87 -27.8 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.444 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.512 HD23 ' O ' ' B' ' 34' ' ' LEU . 0.8 OUTLIER -70.51 -39.41 74.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' B' ' 37' ' ' VAL . 3.5 mm? -54.95 -32.93 61.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 1.0 109.879 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 81.6 p -40.58 -21.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.905 0.383 . . . . 1.0 111.083 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' B' ' 35' ' ' LEU . 27.3 t -94.75 -56.32 5.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.048 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 3.8 t 68.56 71.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.843 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -172.99 64.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.711 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.04 159.69 26.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.727 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.4 p -71.58 167.5 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.277 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.72 -40.41 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.24 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -80.97 -48.03 6.29 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.468 -0.653 . . . . 1.0 111.468 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -43.52 -39.59 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 1.0 111.126 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.468 ' O ' ' CD2' ' B' ' 49' ' ' LEU . 83.0 mt -64.61 -28.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.082 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 43' ' ' GLY . 5.3 m -65.27 -42.1 93.57 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.006 -0.277 . . . . 1.0 111.373 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.93 -43.1 11.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.283 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -35.75 -68.65 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.448 0.536 . . . . 1.0 112.448 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.628 ' CD2' ' H ' ' B' ' 49' ' ' LEU . 0.8 OUTLIER -93.96 23.85 4.63 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.646 0.239 . . . . 1.0 111.646 -176.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.47 94.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 1.0 110.797 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.484 HD23 ' H ' ' B' ' 52' ' ' SER . 0.7 OUTLIER -159.14 142.05 14.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.484 ' H ' HD23 ' B' ' 51' ' ' LEU . 10.1 t -75.39 114.48 13.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 1.0 110.603 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -5.45 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.387 . . . . 1.0 111.131 -178.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 64.7 m -85.71 -19.0 31.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.631 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -105.28 -18.98 13.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.306 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.59 HG13 ' N ' ' B' ' 57' ' ' SER . 8.8 p -71.43 -53.64 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.351 -0.54 . . . . 1.0 110.959 -177.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.59 ' N ' HG13 ' B' ' 56' ' ' VAL . 95.5 p -41.3 -55.29 2.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 1.0 111.4 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -63.64 -25.96 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.882 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' B' ' 56' ' ' VAL . 7.9 tt0 -69.18 -47.31 65.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.297 -177.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.83 -49.03 76.53 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.042 -0.263 . . . . 1.0 111.137 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -42.4 -53.11 4.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.848 0.356 . . . . 1.0 110.779 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 tp -48.89 -68.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.431 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' B' ' 63' ' ' LEU . 15.6 mt -40.85 -45.74 2.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.358 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -63.82 -47.51 80.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.933 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.7 p -57.67 -35.83 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.272 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' B' ' 67' ' ' HIS . 19.2 t -77.7 -13.26 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.915 -178.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.44 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 2.1 t-80 82.51 14.35 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.328 0.393 . . . . 1.0 111.107 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.4 mt -78.12 -2.3 36.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 177.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.533 HG22 ' N ' ' B' ' 70' ' ' LYS . 4.3 p -169.01 162.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.36 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.533 ' N ' HG22 ' B' ' 69' ' ' VAL . 33.5 ttmt -151.65 130.47 12.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.349 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.13 133.25 42.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.796 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -89.99 156.26 18.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.367 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -103.4 103.48 13.47 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -98.59 109.68 22.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.767 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' B' ' 76' ' ' GLN . . . 40.67 46.43 3.75 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.78 -0.528 . . . . 1.0 111.78 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' B' ' 75' ' ' GLY . 5.5 tp-100 95.03 -43.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.377 0.671 . . . . 1.0 110.551 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 32.2 t -63.69 178.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.571 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 11.8 ptp -153.13 142.02 21.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.428 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.2 mt -146.26 124.82 4.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.127 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -68.51 144.32 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.655 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 30.2 t -160.68 139.16 10.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -67.77 122.08 17.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.27 -68.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.553 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.04 104.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.654 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.508 ' H ' ' CD1' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -74.66 8.43 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.738 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -85.51 -46.26 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.909 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.42 HG13 ' N ' ' B' ' 88' ' ' ALA . 10.1 p -72.4 -36.88 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.952 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.42 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -56.69 -46.95 80.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.701 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 5.9 t -75.71 -18.35 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.94 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 27.5 ttt -80.54 -28.1 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 1.0 110.704 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.92 -39.93 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -61.56 -60.61 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.571 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -46.7 -34.02 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.876 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.44 -53.25 24.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.899 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.442 HG22 ' O ' ' B' ' 95' ' ' ILE . 66.6 mt -79.75 -7.92 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.637 -178.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -77.44 -68.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.702 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.796 -179.486 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.4 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.766 0.317 . . . . 1.0 110.64 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.4 p -68.82 -42.02 77.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.541 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.7 tt -63.55 -48.42 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.933 0.397 . . . . 1.0 110.06 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -48.71 -25.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.66 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -68.65 -45.34 72.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.585 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.459 ' H ' HG23 ' A' ' 16' ' ' VAL . 3.2 t -61.9 -18.99 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.669 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 p -79.53 -28.34 41.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.107 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.26 -29.91 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.258 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.446 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 19.6 mt -66.82 -67.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.373 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -51.88 -42.56 62.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.572 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -64.26 -13.32 48.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.85 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -63.79 -50.34 69.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.847 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 23' ' ' LEU . 10.0 mp -53.48 170.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.33 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.59 -100.26 0.15 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.712 -0.955 . . . . 1.0 110.712 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 40.5 m-20 -79.13 129.23 34.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.689 0.28 . . . . 1.0 110.554 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 28' ' ' ARG . 6.7 m-85 -42.94 -52.03 5.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.271 -178.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -48.09 -11.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.094 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' TYR . 58.0 ttt-85 -61.2 -40.11 92.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.778 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.1 mt -78.56 -42.84 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.708 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -53.24 -55.1 27.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.966 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 32' ' ' MET . 20.9 tt -62.14 -37.83 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.835 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.441 ' N ' HG23 ' A' ' 31' ' ' ILE . 69.7 mtp -68.75 -14.71 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.443 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 37' ' ' VAL . 30.7 tt0 -72.23 -64.06 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.492 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.8 tp -53.34 -32.69 50.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.355 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.45 HD23 ' C ' ' A' ' 35' ' ' LEU . 1.5 tt -69.09 -67.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.645 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 m -51.78 -24.5 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.982 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 33' ' ' GLU . 74.8 t -85.2 -23.01 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.483 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t -169.95 132.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 1.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -81.85 152.15 27.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.657 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' HB3' ' CG2' ' A' ' 45' ' ' ILE . . . -162.2 -177.86 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.367 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.517 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 3.0 p -67.2 161.96 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.481 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 43' ' ' GLY . 8.4 p -68.78 -42.87 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.531 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.521 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -84.77 -56.67 2.43 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.328 -0.463 . . . . 1.0 112.062 -176.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.517 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 0.8 OUTLIER -40.01 -42.96 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.797 0.295 . . . . 1.0 111.797 -176.239 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.427 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 32.8 pt -61.76 -28.7 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.129 -177.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.4 p -70.27 -46.04 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.297 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -52.65 33.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.192 -177.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.14 -31.16 70.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.937 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.1 tp -81.82 -9.57 59.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.57 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 62.04 71.88 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.905 0.384 . . . . 1.0 109.993 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -156.86 159.23 37.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.119 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.7 m -80.33 115.41 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.486 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' VAL . 4.0 pt20 -58.44 -46.05 87.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.422 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 53' ' ' GLN . 6.2 m -39.4 -37.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.283 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -81.48 -38.28 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.449 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 59' ' ' GLN . 88.0 t -52.34 -72.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.6 p -42.62 -39.49 2.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.03 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -75.79 -26.48 57.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.664 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' VAL . 47.0 tt0 -71.96 -50.19 31.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.936 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 mt -58.25 -38.29 76.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 1.0 110.498 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -46.2 -46.22 17.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.907 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' ' 62' ' ' LEU . 2.0 tt -63.97 -66.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.422 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.9 mp -41.78 -52.14 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.857 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -44.47 -39.24 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 1.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 t -73.16 -24.1 60.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.879 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.469 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 6.8 t -80.57 -7.81 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.787 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 4.0 m80 75.64 18.58 2.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.52 -0.309 . . . . 1.0 111.198 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -87.71 -24.26 23.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.651 -0.25 . . . . 1.0 110.642 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.9 m -139.32 133.99 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.924 0.392 . . . . 1.0 110.477 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -107.82 131.8 54.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.273 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.71 155.85 19.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.481 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -155.25 138.92 16.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.676 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -97.66 106.07 18.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.25 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -152.72 158.15 41.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 1.0 110.735 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.03 -106.05 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.375 -0.69 . . . . 1.0 111.375 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.37 -72.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 1.0 111.089 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 79' ' ' ILE . 47.9 m -165.55 -167.52 1.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.925 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 51.4 mtt -57.16 77.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.017 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 77' ' ' SER . 78.0 mt -80.62 137.0 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 177.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -88.11 135.88 33.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.755 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 95.5 p -159.68 137.03 9.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.477 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.506 ' H ' ' CD2' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -74.8 -167.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.839 -179.512 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -157.61 -39.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.55 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -67.96 89.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.411 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.1 tt -58.75 -15.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.636 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -63.18 -55.11 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.518 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.1 t -48.48 -41.82 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.531 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.91 72.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.463 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 31.4 m -74.07 -48.53 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.591 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 34.7 ttm -43.38 -34.76 1.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.132 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' ALA . 35.1 mt -76.11 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.525 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -44.58 -41.13 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.665 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.7 -34.61 78.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.306 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -66.55 -49.41 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.426 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.92 -5.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.469 . . . . 1.0 110.139 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -98.12 -13.02 21.17 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.383 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.65 -179.545 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.817 0.342 . . . . 1.0 110.407 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 78.9 m -74.67 -48.91 23.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.476 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.46 HD23 ' O ' ' B' ' 13' ' ' LEU . 3.3 tt -49.24 -51.89 30.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.216 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.536 ' H ' ' CD ' ' B' ' 14' ' ' GLU . 2.5 mp0 -47.61 -41.19 21.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.703 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 49.7 ttt85 -67.05 -36.95 83.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.644 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.37 -20.77 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.79 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.6 p -81.88 -28.47 32.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.163 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -65.38 -29.75 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.34 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.443 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 61.0 mt -70.38 -60.39 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.568 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -59.61 -39.48 84.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.846 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -75.14 -8.3 56.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.431 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -59.28 -45.71 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.589 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.581 ' N ' HD12 ' B' ' 23' ' ' LEU . 9.0 mp -50.47 165.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.14 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.94 -76.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.56 -176.19 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.733 0.302 . . . . 1.0 110.422 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -100.1 -50.04 4.1 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.944 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -79.73 2.83 21.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.752 -176.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -63.19 -24.07 67.72 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.509 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.567 HG23 ' N ' ' B' ' 30' ' ' ARG . 15.4 tt -80.91 -45.16 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.65 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.567 ' N ' HG23 ' B' ' 29' ' ' ILE . 36.0 ttp180 -41.36 -46.27 3.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.235 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' B' ' 34' ' ' LEU . 68.0 mt -57.64 -52.07 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.562 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 22.0 ttt -45.05 -40.45 6.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.718 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.58 -34.11 73.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.501 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' B' ' 31' ' ' ILE . 37.2 tp -71.54 -38.54 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.491 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 38' ' ' SER . 12.8 mt -70.67 -48.1 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.903 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.0 m -45.23 -22.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.783 0.325 . . . . 1.0 110.694 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' B' ' 35' ' ' LEU . 91.6 t -82.15 -40.78 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.371 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.429 ' N ' ' O ' ' B' ' 35' ' ' LEU . 14.1 p -176.1 -112.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.357 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -172.75 167.5 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 1.0 110.613 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.93 -177.85 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.622 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.4 t -62.57 159.05 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.45 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 t -72.75 -42.54 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.16 -178.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.02 -48.64 10.93 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.421 -0.671 . . . . 1.0 111.421 -178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -42.88 -63.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 1.0 111.122 -178.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 91.7 mt -39.1 -31.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.614 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -70.61 -47.14 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.433 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.48 ' C ' ' H ' ' B' ' 49' ' ' LEU . 23.5 m170 -78.94 -50.05 11.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.555 -176.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -68.8 11.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.969 -0.292 . . . . 1.0 111.319 -177.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' B' ' 47' ' ' HIS . 14.2 tp -133.65 1.2 3.35 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.92 0.39 . . . . 1.0 110.14 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 m120 60.02 63.23 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.707 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.415 HD11 HH21 ' B' ' 30' ' ' ARG . 98.1 mt -141.87 161.01 39.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.904 0.383 . . . . 1.0 110.134 176.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.483 ' C ' ' H ' ' B' ' 54' ' ' SER . 20.4 m -78.44 107.76 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.348 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -57.02 -4.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.852 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.483 ' H ' ' C ' ' B' ' 52' ' ' SER . 72.7 m -72.04 -44.85 62.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.531 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -81.94 -37.13 27.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.728 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 95.3 t -41.75 -71.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.213 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.5 m -47.44 -36.47 10.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.975 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -74.14 -24.81 59.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.24 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -74.3 -45.14 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.806 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -56.14 -42.38 76.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 1.0 110.681 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -45.27 -62.22 1.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.927 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.475 ' C ' HD23 ' B' ' 62' ' ' LEU . 1.9 tt -53.24 -66.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.75 -178.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.457 ' N ' HD12 ' B' ' 63' ' ' LEU . 8.4 mp -43.95 -48.39 8.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.652 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -46.12 -34.21 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.714 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.0 m -81.3 -27.62 34.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.988 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.66 -12.53 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.764 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 t60 78.62 17.47 1.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.285 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.98 -10.06 55.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.758 0.313 . . . . 1.0 110.53 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -153.53 149.95 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.368 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -120.51 -163.2 0.99 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.252 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.28 156.16 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.444 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -154.48 160.92 41.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 1.0 110.51 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -140.01 121.87 15.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.892 -0.595 . . . . 1.0 109.943 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.477 ' C ' ' H ' ' B' ' 76' ' ' GLN . 42.7 tt0 -151.41 88.36 1.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.861 0.362 . . . . 1.0 110.808 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.3 -30.01 0.99 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' B' ' 74' ' ' GLN . 82.2 mt-30 -85.88 -104.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.58 0.229 . . . . 1.0 110.415 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 57.1 m -160.64 -167.68 1.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 1.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 53.9 mtt -74.94 75.62 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.398 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 82.4 mt -92.17 117.99 36.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.752 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -75.43 153.52 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.659 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -170.07 -152.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.402 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.594 HD23 ' H ' ' B' ' 82' ' ' LEU . 0.6 OUTLIER -157.01 -168.82 2.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.454 179.295 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -159.48 -24.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.216 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 25.0 p-10 -71.25 91.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 1.0 110.793 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' B' ' 88' ' ' ALA . 17.9 tt -74.16 -12.24 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.447 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -54.29 -57.22 12.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.874 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.82 -28.96 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.754 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 85' ' ' ILE . . . -54.51 -45.28 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 1.0 110.738 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 30.8 p -70.41 -43.37 70.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.789 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 71.2 mmm -42.65 -36.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.199 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 24.5 mt -76.23 -43.26 42.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 1.0 110.432 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.32 -55.96 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.684 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -50.32 -30.62 12.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.688 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.501 ' O ' ' ND1' ' B' ' 97' ' ' HIS . . . -74.99 -43.68 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.699 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.443 HG22 ' O ' ' B' ' 95' ' ' ILE . 77.1 mt -79.87 -10.22 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.603 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -26.57 35.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.529 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' HIS . . . . . 0.501 ' ND1' ' O ' ' B' ' 94' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.624 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.823 0.344 . . . . 1.0 110.828 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 16' ' ' VAL . 47.1 p -56.83 -48.41 78.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.821 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.3 mt -81.82 -32.83 31.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.753 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' OG1' ' A' ' 17' ' ' THR . 59.8 tt0 -49.39 -44.26 44.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.735 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.58 -34.11 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.725 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 12' ' ' THR . 58.3 t -73.2 -23.52 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.671 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 13.3 p -77.15 -21.31 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.148 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -77.35 -31.44 54.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.464 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 60.8 mt -61.73 -57.57 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.593 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -59.84 -41.7 91.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.81 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -63.89 -5.09 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.796 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -79.41 -41.71 27.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 1.0 110.554 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 mt -38.53 120.37 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.323 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.25 -128.57 4.55 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.658 -0.977 . . . . 1.0 110.658 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 26' ' ' TYR . 21.0 t0 -80.69 141.02 35.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.701 0.286 . . . . 1.0 110.485 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.429 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 23.0 m-85 -46.44 -29.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.98 -178.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.402 ' OD1' ' NH2' ' A' ' 30' ' ' ARG . 22.6 m-80 -60.89 -6.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 1.0 110.67 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.476 ' HE ' HD21 ' A' ' 63' ' ' LEU . 57.6 ttt-85 -62.23 -48.97 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.137 -178.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.595 HG23 ' N ' ' A' ' 30' ' ' ARG . 10.4 tp -53.25 -48.0 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.746 -178.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.595 ' N ' HG23 ' A' ' 29' ' ' ILE . 41.5 ttp180 -44.68 -53.15 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.794 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' LEU . 80.0 mt -67.74 -54.78 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.75 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 32' ' ' MET . 1.9 tmt? -43.29 -29.51 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.033 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -75.75 -36.77 59.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.627 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' ILE . 32.3 tp -60.4 -37.1 79.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.507 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 35' ' ' LEU . 3.3 mm? -65.46 -45.41 83.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.185 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -46.33 -25.03 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.361 . . . . 1.0 110.585 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.424 ' O ' ' OG ' ' A' ' 38' ' ' SER . 12.5 t -84.92 -50.73 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.987 -179.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 47.5 m -167.66 -131.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.609 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 39' ' ' GLU . 1.6 pm0 -154.12 160.99 42.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.351 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.36 -177.77 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.587 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 p -76.58 174.6 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.378 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -73.02 -42.07 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.079 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.3 -49.85 7.98 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.538 -0.625 . . . . 1.0 111.538 -178.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -43.02 -53.67 4.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 1.0 110.968 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.2 mt -54.03 -33.97 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 m -69.94 -71.84 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 1.0 111.203 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -57.08 -48.16 79.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.204 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -37.23 -68.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 1.0 112.037 -176.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.469 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 0.6 OUTLIER -97.36 38.29 1.28 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 122.335 -0.228 . . . . 1.0 111.517 -178.687 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 49' ' ' LEU . 8.2 p30 45.88 98.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.275 0.559 . . . . 1.0 111.756 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' CD1' ' NH2' ' A' ' 30' ' ' ARG . 6.9 tp -164.3 152.31 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.472 -0.785 . . . . 1.0 109.508 176.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.4 p -80.37 114.28 19.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.721 0.296 . . . . 1.0 111.125 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -66.22 -2.46 4.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.813 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 t -70.64 -46.37 63.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.611 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 59' ' ' GLN . 35.7 t30 -79.35 -35.29 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.785 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.5 t -45.58 -76.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.879 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.6 p -42.8 -44.88 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.239 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.13 -24.79 60.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.826 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 55' ' ' ASN . 56.9 tt0 -73.0 -51.89 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.905 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.27 -31.7 72.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.34 . . . . 1.0 110.664 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -51.77 -58.5 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.571 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.4 tp -47.96 -56.45 7.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.465 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 63' ' ' LEU . 7.7 mp -52.19 -48.93 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.716 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -45.92 -50.01 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 1.0 110.905 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 m -65.66 -32.67 74.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.797 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 66' ' ' VAL . 92.1 t -76.57 -7.32 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.658 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.6 m80 68.15 17.08 9.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.726 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -76.99 -9.85 58.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.033 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -152.03 147.13 15.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.402 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -96.89 128.52 43.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.158 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.8 103.05 15.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.931 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' ILE . 81.7 tttt -92.49 119.29 31.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.727 -0.471 . . . . 1.0 109.727 177.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -140.48 123.97 16.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.097 0.475 . . . . 1.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' GLN . 63.2 tt0 -89.94 121.93 32.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.868 -0.605 . . . . 1.0 109.644 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.07 -94.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' GLN . 79.2 mt-30 -125.41 87.7 2.74 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.9 t -173.69 124.4 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.3 mtt -87.12 121.08 29.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.085 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 72' ' ' LYS . 10.5 mt -146.36 100.34 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.144 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -82.03 146.51 29.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 1.0 110.926 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.9 p -165.64 149.61 8.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.804 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.38 120.23 28.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.48 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -84.15 -13.56 52.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -76.19 146.25 39.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.516 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 86' ' ' HIS . 2.1 pp -111.51 0.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.298 178.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.606 ' N ' HD12 ' A' ' 85' ' ' ILE . 2.2 t60 -89.44 -61.57 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.643 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.2 t -45.6 -48.49 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.753 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.94 -52.62 23.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.993 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.9 p -72.57 -46.87 52.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.739 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.491 ' O ' ' SD ' ' A' ' 90' ' ' MET . 1.5 tmt? -47.08 -27.39 1.35 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.456 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 tp -72.67 -55.21 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 96' ' ' HIS . 0.7 OUTLIER -56.82 -47.55 80.02 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 178.41 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -48.08 -37.39 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.91 -51.36 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.486 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 95' ' ' ILE . 76.4 mt -76.28 -6.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.446 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 92' ' ' LYS . 69.1 t60 -71.94 -45.33 61.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.37 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 74.2 t60 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.521 179.633 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.803 0.335 . . . . 1.0 110.75 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.2 p -70.0 -37.14 75.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.555 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 tp -52.64 -48.4 66.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.98 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -47.71 -28.6 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -82.07 -24.26 35.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.969 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.5 t -74.82 -27.03 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.967 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.423 ' H ' HG22 ' B' ' 17' ' ' THR . 2.0 t -81.9 -29.93 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.139 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -59.49 -38.99 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.191 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.77 -68.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.409 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -50.9 -40.96 58.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.673 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -59.14 -32.84 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.9 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.23 -44.84 79.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.845 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 tp -37.6 113.69 0.28 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.477 -178.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.87 -139.54 8.21 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.97 141.31 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 1.0 110.713 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.523 ' CE2' ' OD1' ' B' ' 27' ' ' ASN . 29.9 p90 -47.44 -22.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.767 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.523 ' OD1' ' CE2' ' B' ' 26' ' ' TYR . 30.8 m-20 -59.95 -9.56 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 1.0 110.407 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -68.92 -37.52 78.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.796 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mt -58.78 -63.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.596 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -43.11 -46.0 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.81 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.68 -57.29 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.436 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 36.0 tpp -48.88 -37.9 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.847 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.17 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.729 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 56.3 tp -46.34 -27.76 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.481 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -60.48 -34.38 73.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.106 0.479 . . . . 1.0 109.926 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.5 t -40.65 -21.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.279 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' B' ' 35' ' ' LEU . 2.1 p -175.36 86.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.331 0.586 . . . . 1.0 110.1 178.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 29.2 m -171.88 179.99 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.643 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -174.59 124.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.314 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.33 -177.61 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 1.0 110.825 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.1 p -78.68 -177.74 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.502 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 t -77.87 -33.93 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.737 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.39 -51.11 4.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.137 -0.785 . . . . 1.0 111.137 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -65.65 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 1.0 110.875 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.416 HG23 ' N ' ' B' ' 46' ' ' SER . 18.8 tt -50.29 -36.27 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.639 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.416 ' N ' HG23 ' B' ' 45' ' ' ILE . 30.9 m -72.78 -67.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.175 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -52.66 -51.19 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.237 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.476 ' C ' ' H ' ' B' ' 50' ' ' ASN . 80.5 mm-40 -48.92 -63.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.058 -178.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.74 13.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.281 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.476 ' H ' ' C ' ' B' ' 48' ' ' GLN . 5.6 m-20 60.36 65.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 1.0 111.115 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 mt -136.21 148.71 48.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.87 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.468 ' C ' ' H ' ' B' ' 54' ' ' SER . 20.1 t -77.02 106.04 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.162 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -58.53 -2.76 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.005 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.468 ' H ' ' C ' ' B' ' 52' ' ' SER . 20.5 t -76.88 -43.74 34.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.419 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' B' ' 59' ' ' GLN . 49.2 t30 -82.67 -40.93 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.648 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' B' ' 59' ' ' GLN . 63.9 t -45.34 -74.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.806 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 57.6 p -46.01 -41.09 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.686 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -70.93 -20.3 62.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.73 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' B' ' 56' ' ' VAL . 43.0 tt0 -78.97 -42.42 26.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.781 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.3 mt -59.3 -39.91 84.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.405 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.29 -56.28 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.609 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.473 ' C ' HD23 ' B' ' 62' ' ' LEU . 2.0 tt -49.24 -70.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.213 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.552 ' N ' HD12 ' B' ' 63' ' ' LEU . 10.0 mp -41.76 -51.08 4.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.831 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.422 ' CB ' ' NZ ' ' B' ' 64' ' ' LYS . 2.6 ttmp? -50.11 -39.32 42.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 1.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -72.34 -23.42 61.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.666 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.465 ' O ' HG12 ' B' ' 66' ' ' VAL . 43.5 t -77.23 -5.08 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.584 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 38.9 t60 68.68 11.8 8.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.471 HD23 ' C ' ' B' ' 68' ' ' LEU . 2.0 tt -82.07 -74.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.802 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.408 HG12 ' N ' ' B' ' 70' ' ' LYS . 24.6 t -85.17 155.82 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.625 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.455 ' NZ ' ' H ' ' B' ' 83' ' ' ASP . 23.4 pttm -139.17 -163.54 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.04 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -164.38 -166.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.411 . . . . 1.0 110.815 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -153.21 143.3 22.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.043 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -88.22 114.77 25.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.98 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -118.64 88.84 3.0 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.74 -130.83 23.19 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.312 -1.115 . . . . 1.0 110.312 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -81.25 -28.59 34.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 1.0 110.547 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -75.73 -174.61 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.933 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.2 ttt -163.78 96.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.882 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.405 HD13 HG21 ' B' ' 79' ' ' ILE . 16.6 mt -82.96 120.88 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.126 -177.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -79.05 157.4 28.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.4 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 19.6 t -168.76 178.67 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.985 0.421 . . . . 1.0 111.155 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.9 tp -156.29 102.44 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.841 -0.618 . . . . 1.0 109.654 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.455 ' H ' ' NZ ' ' B' ' 70' ' ' LYS . 25.0 t0 -77.18 4.31 10.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.814 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -80.89 87.23 5.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 1.0 110.631 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 25.1 pt -73.59 8.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.53 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -81.95 -48.14 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.666 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.409 HG13 ' N ' ' B' ' 88' ' ' ALA . 12.4 p -77.78 -36.56 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.676 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.409 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -47.34 -55.33 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.525 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 3.4 t -63.41 -40.35 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.715 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 10.8 ttt -44.18 -34.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.945 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 94' ' ' ALA . 16.8 mt -73.83 -57.95 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.258 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -47.82 -27.88 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.278 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -69.78 -33.55 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.529 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -67.2 -44.55 79.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.417 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.709 ' N ' HD12 ' B' ' 95' ' ' ILE . 1.8 mp -75.52 -6.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.087 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -71.14 -64.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 1.0 110.288 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.112 178.767 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.655 0.264 . . . . 1.0 110.752 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.7 m -81.53 -69.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.502 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 15' ' ' ARG . 2.4 tt -56.93 -45.38 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.502 . . . . 1.0 109.8 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -43.71 -17.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.932 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 13' ' ' LEU . 10.0 tpt180 -64.47 -57.65 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.314 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.447 ' H ' HG23 ' A' ' 16' ' ' VAL . 4.8 t -57.69 -18.7 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.532 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 m -79.59 -28.11 41.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.513 . . . . 1.0 109.824 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.78 -33.4 72.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.294 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.4 mt -66.58 -69.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.495 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -50.99 -41.7 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.675 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.92 -28.55 57.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.684 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.44 86.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.732 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.462 ' N ' HD22 ' A' ' 23' ' ' LEU . 3.5 mm? -49.75 142.78 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 1.0 109.918 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.57 -126.77 1.58 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.784 -0.926 . . . . 1.0 110.784 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.46 132.54 54.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 1.0 110.722 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -68.98 -12.59 61.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.847 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -68.32 -20.09 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 1.0 110.462 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -64.46 -33.69 76.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.783 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.4 -52.25 54.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.511 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -47.46 -41.49 20.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.754 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 mt -64.39 -61.82 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.428 ' O ' ' OG ' ' A' ' 36' ' ' SER . 62.5 mtt -46.2 -24.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.779 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -73.87 -32.4 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.969 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.517 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -90.97 -41.69 10.98 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.062 0.458 . . . . 1.0 110.227 -179.059 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 tp -74.94 -57.63 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.459 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 32' ' ' MET . 2.9 m -52.11 -14.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.244 0.461 . . . . 1.0 112.244 -175.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.4 m -102.83 -23.44 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 122.4 -0.188 . . . . 1.0 111.221 -178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 m -156.29 145.49 20.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.868 0.366 . . . . 1.0 110.749 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.4 143.9 29.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.751 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.82 -178.72 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.347 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.459 ' O ' HG22 ' A' ' 45' ' ' ILE . 24.2 p -77.59 176.8 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 43' ' ' GLY . 14.6 p -78.56 -38.48 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.873 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.472 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -85.63 -56.98 2.26 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.246 -0.742 . . . . 1.0 111.246 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.42 -41.84 4.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.316 . . . . 1.0 110.961 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 41' ' ' SER . 17.8 tt -70.75 -30.31 41.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.552 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' GLY . 29.6 p -76.36 -58.28 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.916 -179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.516 ' CD2' ' OE1' ' A' ' 53' ' ' GLN . 34.2 m80 -50.52 -51.73 44.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.791 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -55.06 -45.77 75.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.086 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.93 4.81 11.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.255 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 60.22 60.55 2.03 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.886 -0.326 . . . . 1.0 111.051 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 mt -133.39 151.91 51.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.972 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 54' ' ' SER . 18.0 m -78.53 107.12 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.594 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.63 ' NE2' ' H ' ' A' ' 53' ' ' GLN . 1.8 pm0 -57.24 -3.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.795 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 52' ' ' SER . 7.0 m -77.8 -44.64 26.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.498 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -79.07 -37.07 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.584 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.1 t -44.31 -66.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 t -43.34 -36.97 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -77.7 -30.94 52.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.74 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' VAL . 34.1 mt-30 -67.65 -54.22 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.768 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 14.0 mt -50.3 -45.75 54.85 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.619 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -37.79 -51.58 1.27 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.508 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.9 tp -58.39 -55.27 37.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.743 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.8 mp -53.48 -52.82 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.518 -176.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -32.69 71.73 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.817 -177.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -81.06 8.79 7.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.461 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 66' ' ' VAL . 61.6 t -126.06 -3.98 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.065 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.1 m80 71.09 16.65 6.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.884 0.373 . . . . 1.0 110.383 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tp -80.89 -14.95 57.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.2 t -149.44 133.16 8.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.632 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -96.96 107.28 19.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.197 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.56 160.21 17.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.513 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -150.3 150.05 30.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.176 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 123.62 18.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.023 0.44 . . . . 1.0 110.277 -179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -160.26 81.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.051 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.86 -175.36 20.62 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.774 -1.33 . . . . 1.0 109.774 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -56.13 -65.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.619 -0.432 . . . . 1.0 109.893 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.446 ' C ' ' SD ' ' A' ' 78' ' ' MET . 51.6 p -70.9 -169.45 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.462 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 77' ' ' SER . 2.1 mpt? -140.51 157.26 45.76 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.345 -0.389 . . . . 1.0 109.992 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 79' ' ' ILE . 8.6 mt -146.47 107.4 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.624 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 6.6 p90 -108.84 152.29 25.09 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.017 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 m -167.18 174.05 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 1.0 110.715 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.603 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.9 mp -83.17 -172.42 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 1.0 109.915 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -159.65 -50.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.57 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.9 102.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.9 pt -73.09 4.23 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.584 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -81.03 -47.24 13.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.711 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 88' ' ' ALA . 12.3 p -79.09 -39.44 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.007 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.461 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -53.1 -50.69 63.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.764 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.4 m -67.36 -40.31 85.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.843 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 90' ' ' MET . 12.8 tmm? -45.87 -31.84 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.588 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -76.6 -62.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.106 179.439 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 68.2 mttm -50.12 -36.88 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.464 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.99 -22.86 67.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.385 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -76.02 -47.52 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.502 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 95' ' ' ILE . 63.9 mt -74.16 -6.35 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.178 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 92' ' ' LYS . 1.9 m-70 -81.77 -46.88 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.868 -179.012 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.866 0.365 . . . . 1.0 110.654 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' B' ' 15' ' ' ARG . 20.5 p -67.43 -40.75 85.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.857 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 15' ' ' ARG . 22.6 tp -51.22 -55.06 20.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 1.0 110.799 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -41.09 -24.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.702 0.287 . . . . 1.0 111.524 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' B' ' 13' ' ' LEU . 18.9 mmm180 -57.94 -61.31 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.025 -0.27 . . . . 1.0 111.469 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.523 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 3.9 m -61.85 -19.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.981 -177.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -77.08 -18.66 57.87 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.006 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -80.27 -44.08 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.075 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 13.2 pt -61.52 -41.55 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.321 -176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 30.0 m-85 -74.97 -45.16 44.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.41 -0.516 . . . . 1.0 110.526 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -64.07 -16.48 61.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 1.0 110.539 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.37 82.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.472 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 41.6 mt -52.8 166.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.502 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.478 ' N ' ' NH1' ' B' ' 28' ' ' ARG . . . -160.69 -26.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -153.89 128.98 9.63 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.932 -0.395 . . . . 1.0 109.932 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' B' ' 27' ' ' ASN . 44.8 p90 -59.93 -43.59 94.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.988 -178.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.621 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 34.1 p30 -46.02 -16.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.125 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.478 ' NH1' ' N ' ' B' ' 24' ' ' GLY . 99.4 mtt180 -65.45 -16.39 63.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.967 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.581 HG23 ' N ' ' B' ' 30' ' ' ARG . 21.3 tt -73.85 -48.7 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.481 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.581 ' N ' HG23 ' B' ' 29' ' ' ILE . 79.5 mtt85 -44.19 -54.92 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.953 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.9 pt -66.27 -31.6 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.726 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 18.1 ttt -62.91 -45.77 90.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.839 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -55.11 -50.74 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.647 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.36 -38.86 92.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.698 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.2 OUTLIER -66.31 -50.15 64.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 1.0 109.972 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.7 t -44.6 -15.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.197 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.5 p -162.71 75.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.548 0.69 . . . . 1.0 111.142 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 91.5 p -173.65 -165.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.478 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -171.52 114.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.013 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.98 -177.67 5.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.786 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.6 t -74.49 -176.27 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.229 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 26.2 m -86.61 -29.37 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.63 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -91.54 -53.18 2.17 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.272 -0.731 . . . . 1.0 111.272 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.569 ' N ' ' ND1' ' B' ' 44' ' ' HIS . 1.1 m-70 -42.98 -32.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 1.0 111.339 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.6 pt -77.71 -26.84 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.951 -178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.49 ' N ' ' O ' ' B' ' 43' ' ' GLY . 15.2 m -74.95 -51.38 13.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.102 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -64.28 -52.58 57.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.937 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -54.8 -46.45 74.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.135 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -76.83 8.95 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.621 -0.263 . . . . 1.0 110.82 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 61.37 56.78 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.294 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 97.3 mt -136.05 158.2 44.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.938 0.399 . . . . 1.0 110.489 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.49 ' C ' ' H ' ' B' ' 54' ' ' SER . 58.6 m -80.55 109.54 15.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.438 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.607 ' H ' ' CD ' ' B' ' 53' ' ' GLN . 5.6 pm0 -57.77 -1.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 1.0 111.183 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.49 ' H ' ' C ' ' B' ' 52' ' ' SER . 4.4 m -78.13 -44.77 25.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.707 0.289 . . . . 1.0 110.73 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -81.84 -37.95 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.941 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' B' ' 59' ' ' GLN . 96.4 t -43.64 -65.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.055 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.6 m -41.66 -35.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.494 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -76.87 -24.5 52.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.59 -0.277 . . . . 1.0 111.066 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' B' ' 56' ' ' VAL . 65.4 mt-30 -66.72 -50.54 62.47 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.81 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.96 -42.64 90.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 1.0 110.731 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -44.78 -55.4 5.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.657 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 59.2 tp -48.76 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.112 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.571 ' N ' HD12 ' B' ' 63' ' ' LEU . 9.8 mp -42.0 -56.84 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.015 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -42.28 -32.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.226 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 29.1 m -83.24 -31.69 26.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.215 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.466 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 13.1 t -77.36 -6.27 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.084 -177.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.466 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 4.1 m80 75.24 21.29 1.9 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.693 -0.23 . . . . 1.0 111.523 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 29.5 mt -89.87 -5.14 57.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.758 -0.201 . . . . 1.0 110.839 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 30.7 m -149.6 139.1 15.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.89 0.376 . . . . 1.0 110.755 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -114.65 117.55 31.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.893 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.45 121.8 32.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.087 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.422 ' N ' ' CD ' ' B' ' 72' ' ' LYS . 1.9 mptp? -89.95 138.08 31.8 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 177.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -137.79 104.58 5.33 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.98 0.419 . . . . 1.0 110.796 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.405 ' N ' ' CD ' ' B' ' 74' ' ' GLN . 4.2 mp0 -90.3 124.79 35.18 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.212 -0.662 . . . . 1.0 109.212 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.54 -103.57 0.06 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.209 -1.156 . . . . 1.0 110.209 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -124.12 88.52 2.92 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 44.2 m -171.31 107.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.539 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 69.0 mtp -86.65 121.59 29.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.845 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.01 117.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.25 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -79.55 139.46 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.035 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 7.9 t -154.21 131.76 11.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' B' ' 84' ' ' ASP . 40.8 tp -96.07 112.59 24.28 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.806 178.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -44.57 -29.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.87 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' B' ' 88' ' ' ALA . 33.7 t0 35.79 92.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.659 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.574 HG23 ' N ' ' B' ' 86' ' ' HIS . 6.4 tp -111.47 -48.98 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 110.061 -0.348 . . . . 1.0 110.061 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.574 ' N ' HG23 ' B' ' 85' ' ' ILE . 34.4 m80 -107.12 -42.81 4.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.479 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 91.3 t -45.29 -42.94 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.698 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' B' ' 84' ' ' ASP . . . -42.44 -64.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.345 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.416 ' O ' ' N ' ' B' ' 92' ' ' LYS . 70.2 p -74.23 -52.27 12.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.921 -178.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 39.0 ttm -41.72 -38.05 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.345 -0.388 . . . . 1.0 111.436 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.89 -36.61 56.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 1.0 110.234 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' B' ' 89' ' ' THR . 33.7 ttmt -63.21 -61.26 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.449 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -46.86 -37.14 8.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.584 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.76 -49.14 74.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.615 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.459 HG22 ' O ' ' B' ' 95' ' ' ILE . 93.8 mt -74.76 -7.98 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.71 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -83.12 -24.29 32.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 1.0 110.469 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.697 -179.542 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.545 ' CG ' HH12 ' A' ' 15' ' ' ARG . 29.7 t70 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.848 0.356 . . . . 1.0 110.248 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.3 m -60.38 -51.42 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.423 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -55.46 -42.81 74.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.536 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -48.34 -27.4 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.842 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.545 HH12 ' CG ' ' A' ' 11' ' ' ASP . 59.3 mmt-85 -66.53 -61.01 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.241 -178.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 p -70.51 -22.23 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 1.0 110.71 -178.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 m -73.12 -38.7 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.705 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.25 -41.9 94.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.609 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.4 mm -47.43 -65.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -50.04 -41.47 47.73 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.524 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -59.67 -52.42 65.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.769 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.33 -43.92 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.652 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 24' ' ' GLY . 3.1 tt -37.32 115.56 0.41 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.307 -178.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.495 ' N ' HD23 ' A' ' 23' ' ' LEU . . . -85.73 -148.82 11.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ASN . 6.1 m-20 -66.35 144.47 56.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 1.0 110.51 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' C ' ' H ' ' A' ' 28' ' ' ARG . 14.0 m-85 -41.45 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.285 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ASP . 87.3 m-20 -59.61 -3.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.525 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 26' ' ' TYR . 63.2 ttt-85 -67.13 -35.14 79.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.644 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.9 mm -67.91 -58.01 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.687 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -37.23 -60.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.616 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.15 -52.22 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.834 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.9 tpt -44.69 -33.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.531 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -64.83 -76.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.497 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.6 tp -55.49 -32.5 62.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.528 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' C ' ' N ' ' A' ' 37' ' ' VAL . 36.2 tp -63.89 -30.13 71.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.144 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.4 p -47.87 -16.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.288 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 37' ' ' VAL . 4.5 p -178.04 105.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.758 -0.655 . . . . 1.0 109.942 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' GLU . 99.6 p -163.36 -48.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.922 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' SER . 70.2 mm-40 51.02 97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.155 -0.313 . . . . 1.0 110.155 -178.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.423 ' O ' HG22 ' A' ' 79' ' ' ILE . . . -159.37 -177.62 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.782 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -69.27 166.73 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.596 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 t -77.15 -37.39 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.916 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.92 -62.08 1.87 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.373 -0.691 . . . . 1.0 111.373 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.579 ' N ' ' ND1' ' A' ' 44' ' ' HIS . 1.3 m-70 -42.45 -56.2 3.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.718 0.294 . . . . 1.0 111.288 -178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.0 tt -43.6 -27.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.135 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -80.05 -44.43 20.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.106 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -54.39 -56.85 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.455 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -66.1 -31.55 72.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 1.0 110.695 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.3 tp -75.02 -13.51 60.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.286 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.39 80.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.483 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.68 156.66 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.197 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 54' ' ' SER . 39.6 m -79.14 111.89 15.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.621 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.03 -1.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.592 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 52' ' ' SER . 47.7 t -72.45 -41.89 65.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.463 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' GLN . 7.9 m-80 -81.91 -33.15 30.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.721 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 59' ' ' GLN . 93.0 t -46.11 -74.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.703 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.4 t -41.26 -40.77 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.33 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -76.2 -27.78 57.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.548 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 56' ' ' VAL . 57.0 tt0 -65.3 -60.29 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.917 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.07 -36.89 73.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.697 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -44.91 -56.06 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.828 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.479 HD23 ' C ' ' A' ' 62' ' ' LEU . 2.3 tt -56.04 -64.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.508 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.7 mp -46.17 -55.45 7.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.563 -178.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.29 -26.68 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.607 -0.269 . . . . 1.0 111.176 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 p -67.94 -31.7 71.63 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.837 -0.345 . . . . 1.0 111.024 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 m -108.97 29.46 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.888 -178.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 55.72 19.41 3.38 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.741 0.645 . . . . 1.0 112.741 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.6 mt -74.26 -17.39 60.87 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.241 -0.584 . . . . 1.0 110.004 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 69' ' ' VAL . 33.6 m -151.17 129.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.203 179.015 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -100.45 135.14 42.35 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.646 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 157.41 18.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.306 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -154.24 143.6 21.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.958 0.408 . . . . 1.0 110.622 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.54 125.16 19.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.712 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -146.47 80.15 1.55 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.936 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.18 -29.16 1.92 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.33 -0.708 . . . . 1.0 111.33 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -82.41 -98.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.755 0.312 . . . . 1.0 110.49 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.0 t -158.99 -174.85 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.4 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 16.1 ttt -75.73 75.75 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.474 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 40' ' ' ALA . 14.8 pt -97.86 135.39 32.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.406 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -79.11 162.43 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.842 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 t -154.5 127.98 8.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.631 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.557 HD23 ' N ' ' A' ' 83' ' ' ASP . 2.6 tt -80.47 114.21 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.293 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.557 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -69.41 -58.51 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.567 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.18 78.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.613 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.9 tt -65.54 -26.12 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.751 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -51.94 -20.36 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.811 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.87 -37.38 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.762 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.45 -53.94 38.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.271 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.428 ' H ' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -70.75 -43.73 68.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.964 -178.016 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.8 tpp -55.56 -25.68 39.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.735 0.303 . . . . 1.0 110.89 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 91' ' ' LEU . 3.2 tt -73.71 -55.64 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 1.0 110.278 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -42.19 -48.89 4.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.992 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -56.64 -37.26 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.497 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -60.59 -52.29 65.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.649 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mm -60.0 -10.54 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.891 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -102.1 -7.05 22.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.775 0.321 . . . . 1.0 110.33 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.827 -179.134 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.774 0.321 . . . . 1.0 110.74 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.1 p -60.79 -48.83 80.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.554 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 16' ' ' VAL . 11.4 tp -67.94 -36.02 79.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.09 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -45.39 -44.85 12.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.748 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -53.88 -31.54 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.207 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' B' ' 13' ' ' LEU . 8.7 t -77.92 -24.78 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.434 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.4 m -74.67 -19.3 60.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.556 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -85.74 -58.12 2.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.335 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.547 HG23 ' N ' ' B' ' 20' ' ' PHE . 15.1 tt -43.66 -45.75 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.578 -0.283 . . . . 1.0 111.269 -177.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.547 ' N ' HG23 ' B' ' 19' ' ' ILE . 38.8 m-85 -70.43 -40.46 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.358 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -58.49 -28.91 65.82 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.499 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.73 -43.41 47.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.361 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 mt -52.6 146.62 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.406 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.84 -120.65 0.96 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -49.35 111.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 1.0 110.549 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -50.27 -33.39 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.888 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -61.13 -5.42 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.928 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.61 -27.12 68.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.032 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.568 HG23 ' N ' ' B' ' 30' ' ' ARG . 17.8 tt -65.19 -47.86 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.784 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.568 ' N ' HG23 ' B' ' 29' ' ' ILE . 13.7 mtp-105 -50.1 -36.78 30.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.738 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.6 mt -77.19 -60.73 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.714 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.7 mmt -45.81 -38.91 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.882 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -63.35 -41.41 98.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.757 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.07 -35.45 75.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.353 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 37' ' ' VAL . 16.3 mt -67.96 -26.1 65.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.904 -178.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -45.01 -22.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 1.0 110.744 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 37' ' ' VAL . 6.4 p -171.29 74.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 1.0 110.307 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.7 p -173.27 -170.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.535 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -178.31 128.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.256 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.36 -179.77 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 1.0 110.827 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.8 p -69.9 174.71 4.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.86 -17.95 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.97 -68.07 0.86 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' B' ' 46' ' ' SER . 76.2 m80 -44.19 -48.1 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 1.0 111.046 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 tt -44.19 -21.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.846 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.433 ' N ' ' O ' ' B' ' 44' ' ' HIS . 55.4 p -93.86 -41.26 9.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.932 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -60.62 -51.87 67.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.033 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -54.45 -44.97 72.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.119 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 25.8 mt -77.61 14.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.973 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 59.92 12.72 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 1.0 110.698 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.579 HD23 ' N ' ' B' ' 52' ' ' SER . 1.3 tt -83.58 139.55 32.79 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.579 ' N ' HD23 ' B' ' 51' ' ' LEU . 57.7 p -76.05 127.19 32.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.426 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 1.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.654 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.504 ' H ' ' C ' ' B' ' 52' ' ' SER . 48.5 m -71.93 -31.92 66.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.728 0.299 . . . . 1.0 110.845 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.465 ' C ' ' H ' ' B' ' 57' ' ' SER . 11.6 m120 -87.53 -45.27 10.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.24 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.43 -2.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.803 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.465 ' H ' ' C ' ' B' ' 55' ' ' ASN . 21.6 t -84.65 -64.95 1.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.055 0.455 . . . . 1.0 110.158 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.26 -5.56 52.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.978 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -59.87 -76.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 1.0 110.675 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' B' ' 80' ' ' TYR . 12.5 mt -62.42 -30.51 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.862 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -49.74 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 1.0 110.768 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.3 tp -53.99 -62.18 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.719 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.485 ' N ' HD12 ' B' ' 63' ' ' LEU . 8.2 mp -46.82 -59.05 3.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.231 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -53.48 -16.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.903 -0.319 . . . . 1.0 110.997 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -84.77 -5.99 59.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.268 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 m -133.42 27.73 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.479 0.18 . . . . 1.0 110.965 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 40.3 m80 57.11 22.12 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.887 0.699 . . . . 1.0 112.887 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -76.48 -15.23 59.95 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.424 -0.51 . . . . 1.0 110.215 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.1 m -154.88 149.72 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.457 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.481 ' CG ' ' N ' ' B' ' 71' ' ' ALA . 32.4 ttpt -106.99 164.79 11.85 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.006 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' B' ' 70' ' ' LYS . . . -153.78 118.29 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 1.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -80.63 137.83 36.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.021 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -139.4 87.22 2.17 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.212 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' B' ' 76' ' ' GLN . 9.1 tp-100 -79.84 131.16 35.82 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.782 -0.822 . . . . 1.0 108.782 174.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.31 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.169 -1.172 . . . . 1.0 110.169 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' B' ' 74' ' ' GLN . 2.5 pt20 -139.33 92.31 2.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.881 0.372 . . . . 1.0 110.199 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.5 m -165.17 113.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.37 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.1 mtp -82.98 90.71 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.994 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 mm -108.85 90.16 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.207 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.468 ' CD2' HD13 ' B' ' 60' ' ' LEU . 65.8 m-85 -71.13 137.82 49.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 1.0 110.659 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 70' ' ' LYS . 7.6 t -159.47 147.96 17.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.745 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.08 -146.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -172.4 -56.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.483 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' B' ' 84' ' ' ASP . 38.7 p-10 -70.75 97.7 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.324 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.466 ' C ' ' N ' ' B' ' 87' ' ' VAL . 14.5 tt -68.64 -41.04 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.284 -177.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.462 ' N ' HG23 ' B' ' 85' ' ' ILE . 28.2 p80 -46.82 -15.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 1.0 110.653 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.466 ' N ' ' C ' ' B' ' 85' ' ' ILE . 91.3 t -85.6 -35.85 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.631 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 85' ' ' ILE . . . -64.39 -43.3 94.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.845 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.503 HG23 ' N ' ' B' ' 90' ' ' MET . 9.4 t -70.33 -42.12 72.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.57 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' MET . . . . . 0.503 ' N ' HG23 ' B' ' 89' ' ' THR . 13.9 tpt -55.32 -27.19 45.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.607 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -68.54 -61.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.238 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -53.33 -37.05 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.548 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -55.12 -32.88 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.259 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.37 -43.03 61.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.503 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.2 mm -72.18 -4.88 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.568 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -82.58 -57.91 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.588 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 14.1 m170 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.531 -179.92 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.414 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 36.2 t0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.898 0.38 . . . . 1.0 110.505 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.3 m -60.19 -47.22 86.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.32 -37.95 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.279 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -51.26 -44.4 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.478 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -61.17 -40.14 92.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.614 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.87 -22.21 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.607 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.3 m -78.83 -25.07 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.311 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -72.81 -27.9 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.814 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.64 -47.99 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.004 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -79.56 -39.96 30.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.15 -178.323 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -59.95 -22.37 62.39 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.369 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.26 99.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.395 179.148 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.485 ' N ' HD22 ' A' ' 23' ' ' LEU . 3.5 mm? -52.14 146.64 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.843 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.27 -157.32 7.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 -179.651 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -46.08 157.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 1.0 110.776 -179.368 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -62.96 -10.87 15.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.729 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' OD1' ' NE2' ' A' ' 59' ' ' GLN . 46.0 t-20 -56.63 -38.37 72.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.549 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.1 mmt-85 -65.68 -58.59 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.95 -52.24 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.488 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -43.49 -67.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.991 -179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.51 -51.91 63.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.686 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 32' ' ' MET . 13.0 tmm? -45.2 -32.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.782 -179.491 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.36 -44.98 49.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.854 -179.3 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.547 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -57.6 -35.83 70.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.077 0.465 . . . . 1.0 110.171 -179.296 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -66.33 -61.43 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.232 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -38.99 -23.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.56 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 35' ' ' LEU . 94.9 t -82.39 -38.35 15.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.834 -179.626 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' LEU . 14.0 t -177.11 160.05 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.624 -179.565 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 39' ' ' GLU . 20.1 mp0 -82.0 155.01 25.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.505 179.648 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.01 173.05 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.466 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.2 m -72.24 169.44 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.443 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.519 HG23 ' N ' ' A' ' 43' ' ' GLY . 18.2 m -73.06 -42.95 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.194 -178.214 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.519 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -80.68 -59.55 2.47 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.418 -0.673 . . . . 1.0 111.418 -178.367 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -42.06 -58.83 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 1.0 111.14 -178.719 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 41' ' ' SER . 13.4 tt -50.07 -32.53 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.802 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m -80.59 -45.89 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.542 -177.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -64.88 -54.36 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.45 -177.181 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -59.42 -40.22 86.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.688 -178.682 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.2 tp -74.13 -4.33 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.129 -179.214 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 67.77 80.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.245 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.8 tp -159.62 151.56 20.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.191 -178.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.9 t -75.6 111.37 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.425 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -64.56 -3.72 3.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.763 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.8 p -83.99 -25.31 30.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.52 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -89.93 -43.77 10.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.178 -178.4 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 57' ' ' SER . 32.9 m -44.53 -52.0 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 121.073 -0.251 . . . . 1.0 111.05 -177.488 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.598 ' N ' HG23 ' A' ' 56' ' ' VAL . 48.0 p -41.99 -38.6 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 1.0 111.076 -179.108 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -78.15 -29.74 48.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.55 179.184 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 56' ' ' VAL . 32.7 mt-30 -65.76 -56.08 13.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.927 -179.096 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -53.13 -43.37 66.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 1.0 110.639 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -42.56 -57.75 2.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.874 -179.244 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 tp -50.34 -68.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.408 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 63' ' ' LEU . 4.0 mm? -43.54 -55.39 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.742 -179.11 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -46.84 -69.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.892 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 8.2 t -47.72 -50.22 25.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.538 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.452 ' O ' HG12 ' A' ' 66' ' ' VAL . 89.4 t -52.75 -9.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.928 -177.603 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 65' ' ' SER . 5.4 m80 76.06 17.16 2.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.481 -0.327 . . . . 1.0 111.644 177.532 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.55 -82.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 178.036 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.6 m -68.29 145.4 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.975 -178.581 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -101.72 106.5 17.53 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.154 178.514 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.75 133.7 34.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.716 -179.14 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -114.86 140.02 49.3 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.191 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -139.72 112.74 8.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.335 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -160.06 81.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.69 -65.26 0.38 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.357 -1.097 . . . . 1.0 110.357 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -164.07 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.9 m -68.95 -167.43 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.124 177.713 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.424 ' SD ' ' OH ' ' A' ' 80' ' ' TYR . 0.5 OUTLIER -142.37 105.48 4.59 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.686 -0.487 . . . . 1.0 109.686 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 mt -84.22 109.65 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.915 -177.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.424 ' OH ' ' SD ' ' A' ' 78' ' ' MET . 50.7 m-85 -75.92 142.96 41.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.495 179.279 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 m -153.67 140.68 19.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.642 -179.216 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.611 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.9 mm? -76.92 -178.25 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.14 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -160.62 -32.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.501 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -79.75 91.26 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.523 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.63 -37.27 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.721 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -51.48 -64.36 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.623 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.8 t -46.07 -48.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.885 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.61 -51.23 38.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 1.0 110.807 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.7 m -68.05 -42.72 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.363 -178.041 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.3 mmt -41.41 -40.57 1.78 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.566 -0.288 . . . . 1.0 111.531 -177.446 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 91' ' ' LEU . 10.5 mp -78.74 -38.63 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 1.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -52.67 -71.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.098 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -59.08 -30.21 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.353 -177.565 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.05 -47.19 53.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.957 -0.297 . . . . 1.0 111.11 -178.256 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 95' ' ' ILE . 95.5 mt -74.42 -11.7 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.894 -178.615 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -82.77 -36.78 25.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.757 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.6 t60 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.839 -179.501 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.803 0.335 . . . . 1.0 110.438 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -73.04 -50.92 20.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.713 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tp -44.83 -52.03 8.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 1.0 110.614 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -47.39 -42.74 22.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.792 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -64.67 -32.92 74.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.838 -179.075 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 19.9 t -61.07 -22.99 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 1.0 110.474 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.1 p -79.84 -30.91 40.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.211 178.649 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.2 -30.73 70.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.387 179.369 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 59.8 mt -71.57 -49.61 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.65 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -72.07 -39.39 69.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.724 -178.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -66.7 -7.5 21.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.515 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -70.61 -49.43 47.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.493 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.561 ' N ' HD12 ' B' ' 23' ' ' LEU . 9.5 mp -56.89 161.04 3.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.093 179.406 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.79 -155.62 7.45 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.087 -0.805 . . . . 1.0 111.087 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -50.13 165.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 1.0 110.859 -179.015 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -50.82 -46.58 59.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.666 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -55.4 -29.38 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.671 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.515 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 5.1 tpp85 -61.02 -56.33 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.774 -179.165 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 16.8 tt -77.83 -35.72 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.822 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -41.66 -42.92 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.242 -179.074 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mm -58.68 -50.49 78.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.557 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.495 ' SD ' ' OG ' ' B' ' 36' ' ' SER . 12.0 tmm? -49.2 -41.35 36.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.923 -179.047 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.04 -43.22 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.824 -179.177 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.683 ' C ' HD13 ' B' ' 34' ' ' LEU . 2.7 tm? -73.95 -41.14 62.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.227 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 35' ' ' LEU . 0.9 OUTLIER -61.22 -45.66 93.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.194 0.521 . . . . 1.0 109.82 178.203 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.495 ' OG ' ' SD ' ' B' ' 32' ' ' MET . 74.9 m -46.08 -23.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.556 178.811 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 38' ' ' SER . 41.8 t -108.66 88.58 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.466 179.472 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.428 ' O ' ' O ' ' B' ' 37' ' ' VAL . 20.9 t 57.31 154.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.125 178.572 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 39' ' ' GLU . 5.3 mp0 -93.35 170.58 9.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.616 179.533 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.75 -177.37 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.331 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -60.0 161.6 6.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 1.0 109.87 177.355 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 t -77.66 -31.23 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.801 -0.359 . . . . 1.0 110.955 -178.575 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.66 -53.24 3.1 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.434 -0.667 . . . . 1.0 111.434 -178.407 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -40.19 -53.72 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.734 0.302 . . . . 1.0 111.478 -178.039 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 67.2 mt -51.52 -29.55 9.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.902 -178.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -69.98 -71.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.922 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.472 ' NE2' ' CD ' ' B' ' 53' ' ' GLN . 53.0 m80 -52.49 -49.98 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.137 -178.343 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -47.75 -58.24 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.091 -178.226 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.553 HD12 ' N ' ' B' ' 49' ' ' LEU . 10.3 mp -79.61 13.15 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.236 -177.318 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 60.92 67.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.988 -0.285 . . . . 1.0 111.415 177.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -134.52 149.08 50.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.011 177.625 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -79.53 120.83 24.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.554 179.479 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.572 ' H ' ' CD ' ' B' ' 53' ' ' GLN . 3.3 mp0 -63.5 -2.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.05 -178.812 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 27.8 t -83.93 -20.44 32.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.956 -179.066 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -104.47 -31.66 9.37 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.407 -177.794 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.643 HG13 ' N ' ' B' ' 57' ' ' SER . 14.6 p -48.13 -56.25 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.694 -0.402 . . . . 1.0 110.971 -176.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.643 ' N ' HG13 ' B' ' 56' ' ' VAL . 75.8 p -39.68 -57.7 1.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.718 0.294 . . . . 1.0 111.536 -178.05 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -58.94 -27.88 65.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.823 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.4 OUTLIER -62.71 -67.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.741 -178.254 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.25 -41.91 80.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.037 -178.807 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -42.95 -55.77 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.103 -178.655 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.473 ' C ' HD23 ' B' ' 62' ' ' LEU . 3.2 tt -54.01 -64.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.409 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.537 ' N ' HD12 ' B' ' 63' ' ' LEU . 9.8 mp -47.04 -57.42 5.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.767 -179.152 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -55.28 -27.36 46.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.323 -177.513 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.43 ' C ' ' H ' ' B' ' 67' ' ' HIS . 27.1 p -76.66 -46.88 24.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.821 0.304 . . . . 1.0 111.821 -176.773 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.7 13.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.788 -0.365 . . . . 1.0 111.839 -175.424 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' B' ' 65' ' ' SER . 7.9 t-80 68.05 16.61 9.51 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.932 0.345 . . . . 1.0 111.932 176.632 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.481 HD23 ' C ' ' B' ' 68' ' ' LEU . 2.3 tt -83.33 -73.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 177.568 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.09 138.8 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 1.0 111.305 -178.61 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -109.35 162.92 13.88 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.939 -0.573 . . . . 1.0 109.734 178.101 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -158.38 137.05 11.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.926 0.393 . . . . 1.0 111.116 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -85.74 135.47 33.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.256 178.389 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -81.11 140.34 35.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.255 -178.638 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.508 ' C ' ' H ' ' B' ' 76' ' ' GLN . 82.4 mm-40 -136.68 158.79 43.63 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.076 179.377 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.54 0.29 Allowed Glycine 0 CA--C 1.527 0.783 0 C-N-CA 121.356 -0.449 . . . . 1.0 112.04 -177.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' B' ' 74' ' ' GLN . 1.0 OUTLIER -170.47 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.048 0.424 . . . . 1.0 110.999 179.264 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.7 t -85.9 -167.27 1.79 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 1.0 110.827 -178.745 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 51.5 mtt -150.09 107.94 3.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.818 179.268 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.675 ' N ' HD12 ' B' ' 79' ' ' ILE . 1.5 mp -82.6 97.29 4.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.478 -177.109 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -70.77 139.14 50.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.375 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.8 t -152.69 145.89 24.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.82 -178.608 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.541 HD23 ' H ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -90.38 118.95 30.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.936 179.62 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -78.87 -57.3 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.589 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.23 93.86 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.586 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' B' ' 88' ' ' ALA . 16.2 tt -65.8 -15.43 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.596 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -58.38 -53.78 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.809 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.4 t -54.1 -37.3 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.661 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 85' ' ' ILE . . . -53.25 -47.84 68.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.669 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 52.1 p -66.49 -42.23 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.846 -179.436 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.6 tpt -39.92 -41.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.507 -178.331 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.563 HD22 ' N ' ' B' ' 91' ' ' LEU . 3.1 mm? -76.8 -61.02 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 1.0 110.234 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -39.91 -60.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.513 -178.597 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -61.88 -28.89 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.341 -0.391 . . . . 1.0 111.291 -178.377 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.05 -54.58 6.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.276 -177.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.0 pt -72.7 -5.42 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.931 -0.308 . . . . 1.0 111.058 -177.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -89.97 -30.53 17.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 1.0 110.494 179.108 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.654 -179.618 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 1.144 ' OD1' HG23 ' A' ' 10' ' ' THR . 37.1 p30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.37 -0.604 . . . . 5.1299999999999999 109.37 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 1.144 HG23 ' OD1' ' A' ' 9' ' ' ASN . 52.3 p -136.33 34.38 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 3.6299999999999999 110.625 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -80.09 -34.4 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 3.5499999999999998 110.576 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -46.36 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 2.4300000000000002 110.638 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.666 HD21 HG21 ' B' ' 29' ' ' ILE . 2.9 mt -67.68 -48.75 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 1.9399999999999999 110.624 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.865 ' HB2' ' O ' ' A' ' 10' ' ' THR . 8.4 tt0 -39.45 -33.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 2.6299999999999999 110.598 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.78 ' NH2' ' OD1' ' B' ' 99' ' ' ASN . 2.0 mmm-85 -64.96 -63.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 4.3499999999999996 110.617 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -49.06 -24.81 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 1.6699999999999999 110.586 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.608 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -74.53 -34.54 63.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.54 110.596 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.62 -39.73 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 2.6499999999999999 110.595 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.75 -66.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.5 110.571 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -53.21 -38.93 63.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.1000000000000001 110.634 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' A' ' 17' ' ' THR . 17.1 tttm -62.32 -35.92 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 2.9300000000000002 110.619 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.3 -45.14 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.1200000000000001 110.606 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.7 mt -49.75 158.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 1.8799999999999999 110.582 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.99 -100.05 0.17 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.877 -0.889 . . . . 1.8500000000000001 110.877 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.639 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 78.9 m-20 -80.91 153.24 27.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.318 . . . . 2.8999999999999999 110.622 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.756 ' HD2' ' CG2' ' B' ' 17' ' ' THR . 0.5 OUTLIER -68.04 -51.31 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 4.2999999999999998 110.602 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' TYR . 84.1 m-20 -37.65 -21.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 2.46 110.619 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 1.026 ' NE ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.44 -63.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 4.9699999999999998 110.62 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mt -44.66 -48.02 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.53 110.604 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -49.13 -66.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 3.4300000000000002 110.605 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.67 HD12 ' OE1' ' A' ' 59' ' ' GLN . 11.7 mt -47.55 -46.32 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 1.74 110.592 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.69 -40.19 65.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 2.1299999999999999 110.585 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.21 -56.31 23.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 2.6200000000000001 110.583 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 34' ' ' LEU . 11.7 tp -64.39 -30.89 71.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 1.6899999999999999 110.543 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -76.53 -16.92 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 1.8200000000000001 110.606 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.94 15.32 17.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 1.8999999999999999 110.63 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.4 t -135.26 -67.44 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 2.5600000000000001 110.606 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.55 152.68 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 2.9399999999999999 110.578 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.5 127.91 55.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 2.9700000000000002 110.607 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.64 -175.17 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.91000000000000003 110.617 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.589 ' OG ' ' N ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -70.19 -177.92 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 1.54 110.604 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.589 ' N ' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -75.76 -44.2 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.8 110.632 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.78 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -74.23 -72.97 0.96 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.892 -0.883 . . . . 0.85999999999999999 110.892 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.604 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER -21.77 -54.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 2.7799999999999998 110.603 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.815 ' O ' ' HB2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -57.42 -42.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.6699999999999999 110.616 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.78 ' N ' ' O ' ' A' ' 43' ' ' GLY . 1.8 t -71.02 -44.59 65.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 1.9399999999999999 110.629 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -62.69 -71.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 3.21 110.622 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.423 ' C ' ' H ' ' A' ' 50' ' ' ASN . 2.3 mt-30 -50.12 -43.64 51.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 2.52 110.555 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.815 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -78.52 32.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 2.0600000000000001 110.582 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.551 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.2 m-20 26.13 77.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 2.6200000000000001 110.592 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.554 ' O ' ' OG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -154.1 141.28 19.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 1.6699999999999999 110.618 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 54' ' ' SER . 68.1 m -73.68 104.8 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.6100000000000001 110.631 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 1.071 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 4.7 pt20 -44.35 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 2.7799999999999998 110.589 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -54.34 -38.41 66.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 2.0099999999999998 110.62 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.514 ' O ' ' N ' ' A' ' 59' ' ' GLN . 31.9 m-20 -80.88 -47.13 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 2.5699999999999998 110.561 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.071 ' CG2' ' HA ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -39.1 -81.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.3899999999999999 110.625 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' VAL . 0.6 OUTLIER -36.04 -36.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.53 110.627 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 56' ' ' VAL . 3.0 t-80 -77.41 -32.91 55.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 3.2400000000000002 110.593 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.67 ' OE1' HD12 ' A' ' 31' ' ' ILE . 5.7 tt0 -64.78 -75.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 2.1600000000000001 110.63 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.634 HD13 ' CE2' ' A' ' 80' ' ' TYR . 5.3 mt -34.41 -47.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.81999999999999995 110.618 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 60' ' ' LEU . 21.2 tttm -36.21 -62.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 2.2999999999999998 110.578 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.555 ' O ' ' C ' ' A' ' 63' ' ' LEU . 55.9 tp -52.7 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 1.4399999999999999 110.615 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.026 HD11 ' NE ' ' A' ' 28' ' ' ARG . 10.6 mp -26.87 -60.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 1.74 110.632 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.852 ' HE3' ' HB2' ' A' ' 71' ' ' ALA . 23.9 tttt -41.41 -57.63 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 2.52 110.615 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . 13.4 t -59.13 -22.66 61.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 1.6699999999999999 110.614 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.922 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 3.2 t -79.81 -19.92 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.29 110.582 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.922 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER 88.45 3.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 3.3799999999999999 110.603 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 68' ' ' LEU . 19.1 mt -67.58 -50.48 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.8200000000000001 110.639 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -108.3 160.83 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 1.4299999999999999 110.591 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.678 ' HE2' ' CG ' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -129.94 118.29 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 2.9700000000000002 110.59 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.852 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -76.78 160.5 29.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 1.1799999999999999 110.607 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -141.15 133.23 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 3.27 110.605 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.466 ' HD3' HH11 ' A' ' 73' ' ' ARG . 2.1 mtp180 -109.9 132.93 53.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 4.5300000000000002 110.592 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -164.43 98.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 3.3900000000000001 110.625 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.39 -80.52 0.53 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.893 -0.883 . . . . 3.1400000000000001 110.893 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.49 ' HB3' ' H ' ' A' ' 77' ' ' SER . 1.2 tt0 -140.23 -93.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 5.1500000000000004 110.639 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.49 ' H ' ' HB3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -54.62 157.14 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 2.5899999999999999 110.606 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.472 ' H ' ' HG3' ' A' ' 78' ' ' MET . 0.0 OUTLIER -105.7 120.24 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 2.6200000000000001 110.628 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.6 mt -94.71 117.45 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 1.3400000000000001 110.571 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.644 ' H ' ' HD1' ' A' ' 80' ' ' TYR . 2.4 m-85 -74.01 164.39 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 3.1499999999999999 110.629 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.62 142.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 1.6399999999999999 110.566 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.63 HD23 HG12 ' A' ' 69' ' ' VAL . 24.0 mt -71.38 168.63 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.9399999999999999 110.65 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.678 ' CG ' ' HE2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -129.6 -35.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 2.6000000000000001 110.568 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.718 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -95.44 89.62 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 2.23 110.597 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.5 pt -52.92 -13.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 2.6200000000000001 110.6 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.06 -59.62 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 3.3700000000000001 110.623 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.418 ' H ' HG23 ' A' ' 87' ' ' VAL . 19.1 t -49.8 -45.49 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 1.6000000000000001 110.549 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.13 -49.19 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.97999999999999998 110.619 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -42.36 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.79 110.551 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -50.43 64.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 2.7599999999999998 110.59 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -47.64 82.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 1.74 110.622 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 1.7 tttt -52.85 -39.55 62.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 3.0 110.612 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.92 -43.06 89.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 3.0099999999999998 110.592 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.78 -48.66 79.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 1.02 110.577 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -73.19 -29.52 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 1.78 110.623 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.577 ' HB2' ' O ' ' A' ' 92' ' ' LYS . 0.7 OUTLIER -71.02 -28.13 64.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 2.8799999999999999 110.605 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.758 ' C ' ' H ' ' A' ' 99' ' ' ASN . 2.4 t60 -88.64 -27.23 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 3.1400000000000001 110.58 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.01 26.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 2.77 110.594 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 1.35 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -100.28 129.05 46.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 5.2599999999999998 110.596 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.933 ' O ' ' N ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -79.51 87.55 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 5.8700000000000001 110.649 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 1.35 ' HD3' ' O ' ' A' ' 99' ' ' ASN . 69.8 Cg_exo -47.08 44.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.781 2.321 . . . . 5.7400000000000002 112.285 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 1.172 ' HG3' ' N ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER 78.25 -171.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 8.9900000000000002 110.61 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 1.172 ' N ' ' HG3' ' A' ' 102' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.032 -0.985 . . . . 9.7899999999999991 110.627 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 1.254 ' O ' HG22 ' B' ' 10' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.374 -0.602 . . . . 5.2599999999999998 109.374 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . 1.254 HG22 ' O ' ' B' ' 9' ' ' ASN . 0.8 OUTLIER 175.2 -157.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 3.3100000000000001 110.598 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.755 ' OD1' ' N ' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -102.69 -21.48 14.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 2.75 110.59 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.501 ' O ' ' HB2' ' B' ' 15' ' ' ARG . 0.6 OUTLIER -59.42 -67.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 2.1499999999999999 110.605 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.38 -48.2 74.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 1.6499999999999999 110.635 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -45.04 -37.66 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 2.5800000000000001 110.642 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.1 mtm-85 -61.8 -60.62 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 3.8999999999999999 110.578 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.449 HG23 ' H ' ' B' ' 16' ' ' VAL . 0.2 OUTLIER -50.17 -15.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 1.5800000000000001 110.626 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.756 ' CG2' ' HD2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -85.5 -21.31 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 1.6100000000000001 110.618 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.59 -42.02 44.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 2.48 110.607 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.23 -63.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 1.7 110.57 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.461 ' HA ' HD12 ' B' ' 23' ' ' LEU . 61.5 m-85 -55.92 -39.29 71.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.602 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' B' ' 17' ' ' THR . 23.6 tttm -59.89 -39.59 85.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 3.27 110.613 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.402 ' CB ' HG11 ' B' ' 66' ' ' VAL . . . -51.26 -41.52 60.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.613 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.638 ' HA ' ' NH1' ' B' ' 28' ' ' ARG . 13.8 mt -53.9 150.68 7.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 1.8200000000000001 110.608 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.26 -104.2 0.27 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.911 -0.876 . . . . 1.9199999999999999 110.911 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.714 ' OD1' ' N ' ' B' ' 25' ' ' ASP . 0.1 OUTLIER -74.09 144.56 44.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 2.75 110.57 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 1.122 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER -66.01 -50.19 65.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 4.1900000000000004 110.639 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' B' ' 30' ' ' ARG . 6.7 m-20 -38.78 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 2.9100000000000001 110.613 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.638 ' NH1' ' HA ' ' B' ' 23' ' ' LEU . 22.2 ttm180 -50.47 -50.88 51.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 5.0300000000000002 110.595 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.666 HG21 HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -51.5 -40.68 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 1.54 110.628 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 0.5 OUTLIER -51.37 -60.9 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 3.1899999999999999 110.59 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.457 ' H ' HG13 ' B' ' 31' ' ' ILE . 0.8 OUTLIER -52.53 -44.88 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 1.6100000000000001 110.577 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.18 -44.67 68.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 2.3100000000000001 110.597 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.94 -55.39 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 2.3300000000000001 110.607 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' B' ' 38' ' ' SER . 16.7 tp -60.06 -34.83 73.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 1.6000000000000001 110.605 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' B' ' 35' ' ' LEU . 0.1 OUTLIER -67.03 -38.58 86.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 1.6599999999999999 110.638 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -31.05 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 1.8700000000000001 110.618 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.927 HG13 ' O ' ' B' ' 37' ' ' VAL . 1.9 p -146.52 95.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 2.25 110.637 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.692 ' CB ' ' O ' ' B' ' 37' ' ' VAL . 5.9 t 144.84 178.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 2.6299999999999999 110.581 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.496 ' N ' ' OG ' ' B' ' 38' ' ' SER . 9.6 pt-20 -170.63 119.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 2.5099999999999998 110.6 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.04 -172.31 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.82999999999999996 110.562 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.539 ' OG ' ' N ' ' B' ' 42' ' ' VAL . 5.6 t -73.94 -178.51 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 1.46 110.569 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.628 ' O ' HG22 ' B' ' 45' ' ' ILE . 3.6 t -75.82 -47.88 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 1.75 110.619 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.609 ' C ' ' HG ' ' B' ' 46' ' ' SER . . . -75.7 -58.91 3.65 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.866 -0.893 . . . . 0.85999999999999999 110.866 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.505 ' C ' ' O ' ' B' ' 43' ' ' GLY . 0.3 OUTLIER -31.82 -61.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 2.8199999999999998 110.586 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.628 HG22 ' O ' ' B' ' 42' ' ' VAL . 17.0 tt -46.97 -40.79 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 1.71 110.608 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.609 ' HG ' ' C ' ' B' ' 43' ' ' GLY . 0.0 OUTLIER -68.94 -69.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 1.4399999999999999 110.579 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' B' ' 46' ' ' SER . 0.0 OUTLIER -35.73 -66.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 3.0800000000000001 110.587 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.767 ' C ' ' H ' ' B' ' 50' ' ' ASN . 6.8 mt-30 -45.34 -68.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 2.6000000000000001 110.585 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' B' ' 51' ' ' LEU . 75.1 mt -56.81 18.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 2.02 110.559 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.767 ' H ' ' C ' ' B' ' 48' ' ' GLN . 58.1 m-20 42.84 62.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 2.3300000000000001 110.636 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 49' ' ' LEU . 72.0 mt -128.28 146.93 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 1.45 110.627 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.519 ' OG ' ' HB2' ' B' ' 54' ' ' SER . 3.5 t -81.48 109.33 15.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.5700000000000001 110.566 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -46.08 -20.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 2.6400000000000001 110.607 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.519 ' HB2' ' OG ' ' B' ' 52' ' ' SER . 0.2 OUTLIER -56.93 -39.69 74.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 1.9199999999999999 110.622 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.535 ' O ' ' C ' ' B' ' 56' ' ' VAL . 53.1 m-20 -86.5 -56.32 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 2.3799999999999999 110.602 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 1.04 HG12 ' N ' ' B' ' 57' ' ' SER . 1.0 OUTLIER -28.49 -78.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.7 110.616 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . 1.04 ' N ' HG12 ' B' ' 56' ' ' VAL . 0.2 OUTLIER -33.5 -47.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 1.9199999999999999 110.621 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 58' ' ' HIS . . . . . 0.591 ' O ' ' HB2' ' B' ' 61' ' ' LYS . 0.1 OUTLIER -61.74 -50.39 72.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 3.1699999999999999 110.56 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.612 ' O ' ' C ' ' B' ' 60' ' ' LEU . 0.9 OUTLIER -48.07 -84.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 2.29 110.647 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.93 HD13 ' CE2' ' B' ' 80' ' ' TYR . 9.9 mt -20.47 -55.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.89000000000000001 110.62 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' B' ' 58' ' ' HIS . 3.2 mttm -35.37 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 2.9399999999999999 110.573 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.685 ' O ' ' N ' ' B' ' 65' ' ' SER . 1.2 tp -35.32 -84.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 1.5 110.611 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.82 HD12 ' H ' ' B' ' 63' ' ' LEU . 6.6 mp -27.87 -58.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.71 110.634 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -49.94 -40.03 42.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 2.46 110.583 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.685 ' N ' ' O ' ' B' ' 62' ' ' LEU . 0.0 OUTLIER -77.13 -7.42 55.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 1.74 110.591 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.739 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 3.1 t -95.55 -12.08 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 1.27 110.652 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.739 ' HB2' ' O ' ' B' ' 66' ' ' VAL . 0.0 OUTLIER 84.79 6.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 3.2000000000000002 110.623 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' B' ' 68' ' ' LEU . 88.8 mt -76.57 -53.77 7.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 1.5600000000000001 110.607 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.807 ' CG2' ' HB3' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -101.45 163.82 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 1.47 110.596 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.402 ' HD3' ' OD2' ' B' ' 83' ' ' ASP . 19.4 tttt -136.25 135.76 39.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 2.6499999999999999 110.63 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -101.54 157.82 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 1.3600000000000001 110.611 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -142.91 132.48 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 3.4100000000000001 110.584 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -95.29 142.26 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 4.7400000000000002 110.616 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -156.57 91.29 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 4.1200000000000001 110.581 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.95 -68.99 2.46 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.883 -0.887 . . . . 3.2200000000000002 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -149.67 -82.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.329 . . . . 5.0899999999999999 110.636 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.44 152.8 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 2.5499999999999998 110.592 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.65 129.48 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 2.9900000000000002 110.581 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 8.5 mt -109.45 117.78 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 1.5900000000000001 110.649 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.93 ' CE2' HD13 ' B' ' 60' ' ' LEU . 2.0 m-85 -70.67 -174.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 3.8100000000000001 110.604 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' B' ' 80' ' ' TYR . 0.6 OUTLIER 153.39 144.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 1.47 110.549 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.879 ' N ' HD23 ' B' ' 82' ' ' LEU . 1.0 OUTLIER -78.14 155.97 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 2.1899999999999999 110.608 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.402 ' OD2' ' HD3' ' B' ' 70' ' ' LYS . 0.2 OUTLIER -122.23 -14.98 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 2.6600000000000001 110.584 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -112.32 90.33 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 3.0499999999999998 110.641 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 4.3 pt -54.46 -18.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 2.8300000000000001 110.621 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -49.45 -59.71 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 3.2400000000000002 110.599 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 94.2 t -55.92 -40.05 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 1.5800000000000001 110.578 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.24 -53.11 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.1699999999999999 110.543 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 28.5 p -68.52 -41.01 80.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 2.04 110.611 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 6.9 ttt -54.16 -44.39 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 2.71 110.543 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.58 -42.66 98.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 1.8600000000000001 110.55 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -60.35 -42.67 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 3.0899999999999999 110.6 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -61.17 -39.31 89.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 2.7000000000000002 110.636 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.29 88.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.21 110.597 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 78.9 mt -76.71 -33.04 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 1.8999999999999999 110.564 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -62.3 -31.57 72.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 3.0499999999999998 110.613 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.585 ' O ' ' C ' ' B' ' 98' ' ' ALA . 0.3 OUTLIER -93.42 -12.4 29.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 3.6899999999999999 110.586 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.585 ' C ' ' O ' ' B' ' 97' ' ' HIS . . . -23.19 -56.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 3.1600000000000001 110.637 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 1.039 ' O ' ' O ' ' B' ' 100' ' ' HIS . 19.3 m-20 -116.21 110.59 19.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 6.3300000000000001 110.627 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 1.039 ' O ' ' O ' ' B' ' 99' ' ' ASN . 20.8 p80 -32.06 -165.94 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 6.96 110.576 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 1.004 ' HD2' ' HB2' ' B' ' 100' ' ' HIS . 56.9 Cg_endo -74.13 -84.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.826 2.35 . . . . 5.9199999999999999 112.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.969 ' HG2' ' O ' ' B' ' 101' ' ' PRO . 0.0 OUTLIER -158.63 -34.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 9.8599999999999994 110.591 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.015 -0.993 . . . . 8.9100000000000001 110.628 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.66 ' N ' HD21 ' A' ' 9' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.7 m -146.47 -28.96 0.4 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.487 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -66.79 -38.52 86.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.412 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 13' ' ' LEU . 11.3 t -73.65 -43.57 59.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.535 ' N ' HG23 ' A' ' 12' ' ' THR . 0.2 OUTLIER -48.71 -51.05 30.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.497 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -47.87 -43.06 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.507 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -56.39 -41.61 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.441 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 t -65.63 -23.47 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.377 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.0 m -84.2 -14.32 50.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.203 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -77.85 -39.66 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.59 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 pt -63.8 -38.14 81.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.534 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -74.57 -42.26 59.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.21 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.514 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 2.5 ttmp? -62.35 -33.99 75.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.664 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -44.19 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.6 mt -45.67 145.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.73 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.97 160.97 34.71 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 59.51 165.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 1.0 110.73 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' C ' ' H ' ' A' ' 28' ' ' ARG . 19.4 m-85 -100.3 -47.14 5.04 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.284 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -62.83 3.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.626 -0.715 . . . . 1.0 111.29 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 26' ' ' TYR . 62.9 ttt-85 -70.67 -18.54 62.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.795 0.331 . . . . 1.0 110.536 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.4 mt -83.15 -67.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.033 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -52.1 -46.19 65.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.36 -177.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.515 HG23 ' N ' ' A' ' 32' ' ' MET . 7.3 tt -52.53 -45.18 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.748 -0.381 . . . . 1.0 110.518 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.515 ' N ' HG23 ' A' ' 31' ' ' ILE . 20.6 mmt -63.13 -33.93 76.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.513 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -51.34 -68.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.813 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.6 tp -60.18 -35.13 74.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.992 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -67.17 -35.7 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.093 0.473 . . . . 1.0 109.769 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.6 t -55.58 -18.6 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.625 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.99 71.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.143 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 t -173.44 162.58 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 1.0 110.983 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 18.0 mp0 -143.84 114.3 7.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.737 -0.665 . . . . 1.0 109.682 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.6 -177.52 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 1.0 110.886 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 t -75.38 -179.28 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.454 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -83.68 -35.13 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.767 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.3 -40.11 8.07 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.107 -0.797 . . . . 1.0 111.107 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -49.9 -46.9 52.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.653 0.263 . . . . 1.0 111.089 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.6 pt -69.08 -25.78 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.98 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.6 t -67.78 -76.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.328 . . . . 1.0 110.919 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -49.23 -47.2 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.172 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -49.08 -55.8 11.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.13 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.78 13.45 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.203 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 60.98 62.72 1.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.78 0.324 . . . . 1.0 110.817 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.5 mt -134.2 147.72 50.78 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.081 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 54' ' ' SER . 48.9 m -77.94 107.56 10.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.188 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -61.75 -2.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.05 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 52' ' ' SER . 52.1 m -80.56 -16.76 53.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.783 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 56' ' ' VAL . 18.9 p30 -105.06 -31.96 8.94 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.487 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.645 HG23 ' N ' ' A' ' 57' ' ' SER . 19.9 m -56.75 -58.87 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.405 -0.518 . . . . 1.0 110.972 -176.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.645 ' N ' HG23 ' A' ' 56' ' ' VAL . 58.3 m -42.95 -42.27 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.803 0.335 . . . . 1.0 111.111 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.77 -26.77 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.449 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' VAL . 22.6 tt0 -68.28 -50.96 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.816 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.8 -42.14 83.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 1.0 110.596 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 61' ' ' LYS . 10.6 ttmm -45.2 -54.74 6.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.892 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.8 tp -52.17 -72.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.305 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.0 mp -41.99 -56.15 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.873 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.606 ' HZ1' ' H ' ' A' ' 71' ' ' ALA . 41.1 tptt -45.09 -30.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.845 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 m -80.97 -32.2 34.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.226 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.83 0.84 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.033 -0.267 . . . . 1.0 110.951 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.4 t60 65.43 16.1 10.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.711 -0.222 . . . . 1.0 111.573 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.8 mt -92.77 -6.02 49.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.714 0.292 . . . . 1.0 110.4 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.6 t -149.89 142.18 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.634 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 81' ' ' SER . 32.2 ttpt -133.63 166.54 22.36 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.884 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.606 ' H ' ' HZ1' ' A' ' 64' ' ' LYS . . . -143.29 131.79 22.31 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.893 0.378 . . . . 1.0 110.577 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -82.12 142.28 32.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.708 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -100.58 103.66 14.97 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.218 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -109.41 103.03 11.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.141 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -129.69 39.1 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.17 -39.37 15.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.85 0.357 . . . . 1.0 110.38 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 78' ' ' MET . 42.9 t -69.41 -167.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.993 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.476 ' N ' ' OG ' ' A' ' 77' ' ' SER . 20.5 ptt? -165.38 154.43 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.472 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.7 mt -145.93 116.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.292 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -77.16 155.39 32.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.756 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 70' ' ' LYS . 78.4 p -170.23 156.66 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.617 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 83' ' ' ASP . 2.5 tp -74.28 -157.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 82' ' ' LEU . 5.1 m-20 -160.67 -66.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 1.0 110.559 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 7.2 p-10 -69.61 99.2 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.732 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.1 tt -61.59 -9.48 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.426 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -59.23 -55.06 39.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.264 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 88' ' ' ALA . 7.9 p -67.52 -44.95 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.153 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.535 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -41.88 -61.64 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 1.0 111.243 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 90' ' ' MET . 5.7 t -64.14 -41.71 97.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.64 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.464 ' N ' HG23 ' A' ' 89' ' ' THR . 24.1 ttt -45.04 -32.36 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.815 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.495 HD23 ' C ' ' A' ' 91' ' ' LEU . 3.7 tt -72.4 -61.05 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 1.0 109.999 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -53.95 -31.9 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.546 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.04 -28.68 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.276 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.58 70.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.27 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 95' ' ' ILE . 96.1 mt -89.29 -8.52 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.427 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -82.54 -39.4 22.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.75 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -51.74 -47.34 64.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.712 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.487 ' C ' ' H ' ' A' ' 100' ' ' HIS . . . -51.04 -91.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.664 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 8.1 t-20 65.62 -4.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.598 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 36.0 p-80 40.61 76.27 0.52 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.305 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -85.44 -26.14 1.44 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.683 2.255 . . . . 1.0 112.357 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -163.2 -36.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.986 -1.007 . . . . 1.0 110.616 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' B' ' 10' ' ' THR . 15.8 p30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.421 ' O ' ' O ' ' B' ' 9' ' ' ASN . 44.1 p 45.02 -172.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.838 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 4.0 m-20 -85.05 -16.92 39.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.574 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 56.5 p -63.64 -56.08 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.754 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.35 -35.28 77.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.493 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.79 -25.57 41.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.862 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -66.43 -56.19 12.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.788 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.66 -16.05 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.482 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.3 m -72.6 -33.47 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.215 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.17 -36.73 80.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.488 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.5 mt -54.9 -58.14 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -64.55 -44.16 91.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.785 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -54.0 -23.76 14.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.571 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.31 90.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.596 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 mt -54.64 146.97 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.37 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.33 -75.9 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.95 170.13 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 1.0 110.749 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.402 ' C ' ' H ' ' B' ' 28' ' ' ARG . 27.8 m-85 -99.75 -44.39 6.11 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.044 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -68.3 3.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' B' ' 26' ' ' TYR . 66.4 ttp85 -57.9 -45.82 85.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.698 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.503 HG23 ' N ' ' B' ' 30' ' ' ARG . 13.2 tt -68.62 -45.07 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.665 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.503 ' N ' HG23 ' B' ' 29' ' ' ILE . 22.2 mmt85 -43.41 -62.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.056 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.5 pt -61.82 -35.65 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.011 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' B' ' 32' ' ' MET . 1.3 tmt? -59.77 -49.09 79.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.602 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -49.38 -57.31 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.763 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 tp -56.49 -34.19 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.992 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.53 HD23 ' O ' ' B' ' 35' ' ' LEU . 0.8 OUTLIER -69.37 -34.67 74.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.99 0.424 . . . . 1.0 110.216 -178.187 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.8 m -46.16 -14.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.941 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' B' ' 35' ' ' LEU . 4.2 p -172.53 84.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.353 0.597 . . . . 1.0 110.511 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 39.1 m -169.83 -172.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.861 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -173.67 111.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.172 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.2 -177.15 5.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.684 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.1 t -77.67 -172.72 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.567 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 38.4 t -86.95 -39.72 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.736 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -82.77 -11.15 82.11 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.29 -0.724 . . . . 1.0 111.29 -178.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -73.11 -69.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 1.0 110.896 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.53 -24.71 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.971 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 58.5 p -66.94 -78.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.015 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -53.86 -46.62 71.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.944 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -42.31 -60.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.455 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.06 22.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.486 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 57.4 66.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 1.0 110.84 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -133.55 145.11 49.81 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.483 ' C ' ' H ' ' B' ' 54' ' ' SER . 88.7 p -82.61 133.07 35.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.326 . . . . 1.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -67.25 8.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.922 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.483 ' H ' ' C ' ' B' ' 52' ' ' SER . 52.7 p -73.99 -50.34 20.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 1.0 110.541 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' B' ' 57' ' ' SER . 37.1 m-20 -73.92 -33.49 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.468 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.46 ' O ' HG12 ' B' ' 56' ' ' VAL . 31.9 t -55.1 -2.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.624 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' B' ' 58' ' ' HIS . 32.0 p -89.51 -60.42 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.062 0.458 . . . . 1.0 110.039 176.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' HIS . . . . . 0.477 ' N ' ' OG ' ' B' ' 57' ' ' SER . 27.5 t-80 -79.08 -10.06 59.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.924 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -61.8 -78.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.42 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.68 -38.46 67.0 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.974 -0.29 . . . . 1.0 110.948 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -45.08 -61.01 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.819 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.13 -66.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.558 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.473 ' N ' HD12 ' B' ' 63' ' ' LEU . 8.8 mp -41.42 -56.95 2.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.928 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -55.22 -24.4 27.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.49 -0.323 . . . . 1.0 111.287 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.489 ' C ' ' H ' ' B' ' 67' ' ' HIS . 6.9 m -81.86 -51.69 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.615 -0.266 . . . . 1.0 111.463 -177.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.452 ' H ' HG22 ' B' ' 66' ' ' VAL . 3.7 m -65.44 10.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.975 -0.29 . . . . 1.0 111.504 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' B' ' 65' ' ' SER . 6.6 t-80 64.81 15.67 9.98 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.044 0.387 . . . . 1.0 112.044 176.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 64.8 mt -91.58 -3.72 56.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.577 0.227 . . . . 1.0 110.601 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.405 HG12 ' N ' ' B' ' 70' ' ' LYS . 83.8 t -154.31 152.69 9.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.877 0.37 . . . . 1.0 110.395 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.405 ' N ' HG12 ' B' ' 69' ' ' VAL . 88.8 mttt -137.61 -176.39 4.39 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.884 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -165.64 147.26 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.595 -0.442 . . . . 1.0 111.433 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -89.14 136.63 32.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.202 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -135.49 87.15 2.3 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.146 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -160.25 64.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.153 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 151.34 90.45 0.08 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.555 -1.018 . . . . 1.0 110.555 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 42.26 -87.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 1.0 111.761 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 75' ' ' GLY . 81.0 p -64.76 -167.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.401 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.427 ' C ' HD12 ' B' ' 79' ' ' ILE . 4.9 ttt -148.58 107.29 3.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 1.0 109.606 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.723 ' N ' HD12 ' B' ' 79' ' ' ILE . 1.6 mp -92.62 103.75 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.616 -176.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -63.37 157.86 22.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 1.0 110.526 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 58.0 m -160.85 -169.43 2.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.516 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.515 HD23 ' N ' ' B' ' 83' ' ' ASP . 1.1 tt -151.43 114.4 4.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.913 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.515 ' N ' HD23 ' B' ' 82' ' ' LEU . 6.7 m-20 -67.45 -59.11 3.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.478 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 84' ' ' ASP . 1.2 m-20 -44.46 139.7 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 1.0 111.008 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -111.25 -21.75 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.448 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -73.15 -35.59 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.535 HG13 ' N ' ' B' ' 88' ' ' ALA . 10.5 p -62.14 -44.62 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.582 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.535 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -56.38 -46.46 80.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.84 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 65.5 p -71.99 -45.69 60.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.4 ttt -46.49 -31.53 2.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.467 HD23 ' C ' ' B' ' 91' ' ' LEU . 3.3 tt -73.0 -59.73 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.01 -0.367 . . . . 1.0 110.01 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -51.63 -30.17 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.443 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.48 -31.63 72.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.359 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.11 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.366 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.45 HG22 ' O ' ' B' ' 95' ' ' ILE . 89.0 mt -73.15 -9.77 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.438 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -79.41 -36.46 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.59 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -62.1 -49.11 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.419 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 55.27 64.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.745 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -82.31 118.72 23.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.518 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -170.3 68.15 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.605 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -45.39 147.65 2.46 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.638 2.225 . . . . 1.0 112.228 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -58.38 166.14 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.649 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.646 -179.868 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.4 p 57.27 34.45 24.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.792 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.525 ' N ' ' OE1' ' A' ' 14' ' ' GLU . 22.5 p-10 -172.79 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.899 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 p -82.82 -60.58 2.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.984 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.16 -26.41 62.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.855 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 11' ' ' ASP . 12.4 mp0 -58.53 -14.86 9.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.596 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -79.47 -61.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.497 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.526 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 35.8 m -62.37 -16.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.508 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -72.14 -47.61 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.619 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -56.88 -33.83 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.733 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 19' ' ' ILE . 17.7 mt -59.99 -63.52 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.876 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 24.8 m-85 -56.5 -43.02 79.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.012 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -54.7 -37.59 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.384 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.77 73.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.723 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.96 159.83 27.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 1.0 110.555 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.622 ' N ' ' NH1' ' A' ' 28' ' ' ARG . . . -173.72 -82.08 0.05 OUTLIER Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 27' ' ' ASN . 62.4 t0 -73.24 114.8 11.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.84 0.352 . . . . 1.0 110.424 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -61.0 0.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.993 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' A' ' 25' ' ' ASP . 14.7 t30 -85.99 -12.23 50.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 1.0 110.598 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.622 ' NH1' ' N ' ' A' ' 24' ' ' GLY . 96.4 mtt180 -65.5 -54.08 33.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.984 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.548 HG23 ' N ' ' A' ' 30' ' ' ARG . 16.9 tt -45.24 -47.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.623 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.548 ' N ' HG23 ' A' ' 29' ' ' ILE . 63.0 ttt180 -42.03 -72.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.323 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 pt -61.03 -38.28 79.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.922 -178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.3 ttt -48.52 -45.3 37.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 1.0 110.475 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -60.42 -42.49 96.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.724 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.606 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -53.05 -34.81 58.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.973 0.416 . . . . 1.0 110.032 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.68 -37.62 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.418 . . . . 1.0 109.996 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 t -74.18 3.01 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.258 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.8 t -134.33 70.49 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.274 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m 63.58 113.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.946 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -66.93 170.84 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.656 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -177.59 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.528 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.424 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 8.9 p -64.28 165.18 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.386 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 43' ' ' GLY . 11.8 m -75.77 -37.03 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.27 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 46' ' ' SER . . . -80.66 -72.24 1.23 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.579 -0.609 . . . . 1.0 111.579 -178.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -39.11 -53.87 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.626 0.25 . . . . 1.0 111.56 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' A' ' 41' ' ' SER . 17.8 tt -45.37 -33.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.826 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.426 ' OG ' ' OE1' ' A' ' 53' ' ' GLN . 55.0 p -81.79 -55.86 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.16 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -48.53 -50.24 32.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.025 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -60.46 -51.29 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.81 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -70.4 0.7 6.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.056 -178.478 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 62.23 77.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.765 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.6 tp -148.05 147.18 29.29 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.875 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 54' ' ' SER . 16.9 m -80.46 123.19 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.913 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' OE1' ' OG ' ' A' ' 46' ' ' SER . 16.7 mm100 -64.14 -1.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.681 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 52' ' ' SER . 29.3 t -67.78 -48.56 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.685 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -81.93 -35.23 29.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.063 -178.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.4 t -40.45 -77.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.425 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.9 m -37.24 -49.09 0.91 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.928 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -75.5 -24.94 56.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.871 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 56' ' ' VAL . 10.1 tt0 -68.0 -58.35 4.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.008 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 63' ' ' LEU . 12.5 mt -50.41 -47.24 56.59 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.009 -0.276 . . . . 1.0 110.709 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -37.91 -56.58 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.636 -178.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.415 ' O ' ' OG ' ' A' ' 65' ' ' SER . 36.3 tp -56.32 -32.14 64.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.606 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' LEU . 12.0 mt -74.78 -54.48 7.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.956 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -70.16 -0.45 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.106 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 62' ' ' LEU . 94.7 p -79.0 -56.68 4.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 1.0 110.94 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 m -94.6 35.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.644 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.1 t60 60.19 22.47 11.81 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.912 0.338 . . . . 1.0 111.912 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -72.39 -18.95 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.709 -0.397 . . . . 1.0 110.075 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.4 m -152.29 149.29 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.276 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -96.66 124.37 40.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.449 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.84 160.68 17.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.616 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -152.63 131.6 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.226 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.535 ' CZ ' ' SD ' ' A' ' 78' ' ' MET . 81.3 mtt180 -137.91 121.63 17.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.472 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -160.5 78.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.236 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.82 -64.23 0.42 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.245 -1.142 . . . . 1.0 110.245 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -172.64 -62.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 1.0 110.336 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.2 m -63.33 -167.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.502 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.535 ' SD ' ' CZ ' ' A' ' 73' ' ' ARG . 41.5 mtt -144.17 99.1 3.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.505 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 72.5 mt -87.57 103.65 13.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.626 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -97.75 145.56 26.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.217 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.6 t -159.64 -178.28 6.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.738 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.88 -158.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.562 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -172.74 -41.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.402 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 48.2 t0 -65.04 157.8 27.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.417 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 24.2 pt -111.11 -16.48 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.425 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -79.07 -59.47 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.929 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 88' ' ' ALA . 11.6 p -44.07 -42.17 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.12 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.512 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -69.45 -38.92 77.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.964 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -75.5 -34.29 60.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.804 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 30.6 ttm -62.44 -30.74 71.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.771 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.4 mt -77.23 -48.14 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 1.0 110.479 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -42.21 -72.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.467 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -58.69 -29.17 66.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.632 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.5 -60.09 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.801 -0.36 . . . . 1.0 111.218 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.5 pt -77.66 -2.56 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.165 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -78.68 -35.11 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 1.0 110.326 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -83.64 -42.65 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 50.8 83.67 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.257 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -65.32 174.1 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.894 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.561 ' N ' ' ND1' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -171.3 151.09 2.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.112 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -37.34 136.75 0.36 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.092 1.861 . . . . 1.0 112.662 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -58.69 104.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.546 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 11.7 mp0 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.051 -0.976 . . . . 1.0 110.55 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 45.8 t30 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.2 p -70.34 80.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.522 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -47.78 -29.3 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.917 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.6 m -59.91 -46.87 87.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.74 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.461 HD23 ' O ' ' B' ' 13' ' ' LEU . 2.0 tt -66.31 -39.23 89.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.969 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -53.66 -37.19 62.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.162 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -58.28 -55.8 30.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.051 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.4 m -67.09 -17.03 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.989 0.423 . . . . 1.0 110.521 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -78.37 -15.96 58.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.619 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -81.97 -49.77 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.928 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 pt -49.49 -43.57 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.879 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -69.32 -45.35 69.7 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.347 -0.541 . . . . 1.0 110.546 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -49.87 -18.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.51 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.54 -35.62 75.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.555 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.13 152.09 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.47 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -169.07 -100.17 0.13 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.744 -0.942 . . . . 1.0 110.744 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -61.74 109.3 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.789 0.328 . . . . 1.0 110.57 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -72.07 4.43 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.847 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -80.6 -7.82 59.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.437 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -70.82 -35.57 72.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.82 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -43.47 -59.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.95 0.405 . . . . 1.0 110.832 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -41.83 -68.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.405 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.7 pt -63.0 -26.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.166 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.441 ' C ' ' SD ' ' B' ' 32' ' ' MET . 10.9 tmm? -67.4 -42.77 82.76 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.39 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.89 -36.5 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.52 -37.4 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.421 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.533 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -72.66 -31.61 65.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 1.0 109.981 -179.064 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -41.07 -21.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.016 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.6 p -164.15 69.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.695 0.76 . . . . 1.0 109.944 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -172.95 160.46 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.396 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -145.12 125.97 14.39 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.28 177.34 9.69 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.774 -0.37 . . . . 1.0 110.97 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -74.25 175.74 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.333 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.451 HG23 ' N ' ' B' ' 43' ' ' GLY . 24.2 m -79.63 -37.97 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.624 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.451 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -83.01 -43.72 7.45 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.129 -0.788 . . . . 1.0 111.129 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -44.26 -47.49 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 1.0 111.021 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -65.61 -25.53 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.884 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -66.35 -44.95 81.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.934 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.51 -49.59 46.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.037 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.63 -61.48 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.033 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.47 HD23 ' O ' ' B' ' 49' ' ' LEU . 0.7 OUTLIER -65.8 -6.74 12.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.127 -178.348 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 m120 62.59 80.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 1.0 110.677 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.431 ' CD2' HD22 ' B' ' 55' ' ' ASN . 6.8 tp -152.73 148.77 27.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.923 179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.4 p -82.96 121.82 27.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.79 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' B' ' 56' ' ' VAL . 27.2 tp60 -49.03 -47.56 44.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.425 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 69.9 m -31.95 -38.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.709 -0.678 . . . . 1.0 112.252 -177.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.729 HD21 ' N ' ' B' ' 56' ' ' VAL . 0.5 OUTLIER -87.72 -41.83 13.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.612 0.244 . . . . 1.0 110.695 179.393 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.729 ' N ' HD21 ' B' ' 55' ' ' ASN . 77.0 t -39.44 -80.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.737 0.303 . . . . 1.0 111.336 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 39.3 t -40.1 -33.41 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.383 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' HIS . . . . . 0.53 ' N ' ' ND1' ' B' ' 58' ' ' HIS . 0.2 OUTLIER -82.83 -28.27 30.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.036 -179.468 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' B' ' 56' ' ' VAL . 11.9 mm-40 -67.2 -51.48 52.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.606 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.26 -43.76 92.45 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.82 -0.352 . . . . 1.0 110.593 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -43.94 -49.14 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.007 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.07 -51.44 70.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.89 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.531 ' N ' HD12 ' B' ' 63' ' ' LEU . 10.1 mp -67.18 -66.97 0.49 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.797 0.332 . . . . 1.0 110.662 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -23.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.182 -177.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -84.09 8.19 16.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.519 -0.309 . . . . 1.0 111.393 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.576 ' O ' HG12 ' B' ' 66' ' ' VAL . 43.5 t -132.32 15.07 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.717 0.294 . . . . 1.0 110.442 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 65.42 20.11 11.71 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.877 0.325 . . . . 1.0 111.877 175.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 41.5 mt -90.93 -18.11 25.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.639 0.257 . . . . 1.0 110.706 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -147.17 114.94 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.356 . . . . 1.0 110.72 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -96.27 153.0 18.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.926 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.77 -178.6 4.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.489 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -151.37 135.93 17.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.395 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -84.99 118.95 24.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.919 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.45 118.18 17.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.079 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.79 2.31 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -165.88 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 1.0 110.044 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' B' ' 78' ' ' MET . 29.4 t -66.66 -167.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.98 177.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.502 ' N ' ' OG ' ' B' ' 77' ' ' SER . 3.7 ptt? -155.54 99.13 2.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.055 0.455 . . . . 1.0 109.786 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.75 134.2 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.807 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.457 ' CE2' HD23 ' B' ' 35' ' ' LEU . 31.0 p90 -93.64 151.19 19.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.647 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.7 m -156.21 150.34 25.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.563 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' B' ' 84' ' ' ASP . 13.3 mt -76.65 -62.02 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.651 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 69.45 -13.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 82' ' ' LEU . 13.2 m-20 -78.97 105.55 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.717 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 5.7 tp -76.09 -22.54 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.493 ' O ' ' SD ' ' B' ' 90' ' ' MET . 40.0 t-80 -64.15 -69.66 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.711 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 34.8 t -51.78 -30.65 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.92 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.3 80.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.84 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 34.3 m -77.44 -52.89 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.885 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' B' ' 90' ' ' MET . 0.0 OUTLIER -44.81 -32.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.835 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 21.4 mt -78.07 -46.22 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 1.0 110.607 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -47.84 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.046 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.483 ' O ' ' ND1' ' B' ' 97' ' ' HIS . 91.0 mt-30 -47.84 -34.54 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.138 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.92 -55.0 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.036 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.445 HG22 ' O ' ' B' ' 95' ' ' ILE . 68.6 mt -76.96 -8.83 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.595 -178.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.406 ' C ' ' N ' ' B' ' 98' ' ' ALA . 78.1 t60 -74.46 -41.41 60.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.014 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' B' ' 93' ' ' GLN . 0.3 OUTLIER -49.38 -15.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.663 -179.21 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' B' ' 96' ' ' HIS . . . -73.94 -27.76 61.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.88 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -71.28 -173.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.588 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -52.18 151.17 7.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.137 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.23 -47.37 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.84 1.693 . . . . 1.0 111.874 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt 47.51 66.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.721 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.966 -1.016 . . . . 1.0 110.61 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.3 t-20 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 9' ' ' ASN . 14.3 m -166.82 -42.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.726 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -163.28 -14.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.17 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.4 p -64.28 -40.29 95.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 1.0 110.634 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.4 tt -66.58 -43.23 85.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.19 0.519 . . . . 1.0 109.9 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -43.89 -52.68 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.085 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -51.02 -36.87 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.939 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.7 t -68.91 -22.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 1.0 110.644 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.8 p -79.65 -15.43 57.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.051 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -79.74 -36.44 37.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.26 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -60.19 -54.88 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.372 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' O ' HD11 ' A' ' 23' ' ' LEU . 60.8 m-85 -55.93 -42.04 75.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.741 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -78.98 -13.98 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.922 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.12 -58.81 6.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.919 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD11 ' O ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -61.78 -175.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.575 -179.215 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.15 -104.62 0.2 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.0 127.42 31.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 1.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 41.1 p90 -41.01 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.318 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.568 ' ND2' ' CZ ' ' A' ' 26' ' ' TYR . 53.6 m-80 -58.13 -4.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.533 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.476 ' H ' ' C ' ' A' ' 26' ' ' TYR . 14.8 tpp180 -69.39 -28.63 66.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.724 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.8 mm -76.11 -58.87 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.694 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -44.7 -71.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.055 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.528 HG23 ' N ' ' A' ' 32' ' ' MET . 17.3 tt -43.2 -42.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.367 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.528 ' N ' HG23 ' A' ' 31' ' ' ILE . 26.1 ttt -59.16 -35.49 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.532 -0.304 . . . . 1.0 110.963 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -65.01 -33.02 75.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.911 -0.315 . . . . 1.0 110.591 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.558 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -78.01 -42.44 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.439 . . . . 1.0 110.153 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' VAL . 36.0 tp -61.33 -29.71 70.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.142 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.4 t -44.87 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.771 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' LEU . 52.6 t -85.74 -47.46 16.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.304 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t 62.78 78.57 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -172.24 50.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.578 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.07 169.46 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 1.0 110.895 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -81.79 -175.38 5.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.175 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -74.44 -37.06 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.94 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.19 -50.83 2.34 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.211 -0.755 . . . . 1.0 111.211 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -46.93 -33.03 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 1.0 111.068 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.6 tt -74.53 -21.2 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.065 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 t -79.39 -45.92 18.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.037 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.502 ' C ' ' H ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -63.18 -51.6 65.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.868 -178.645 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -70.52 12.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.725 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 47' ' ' HIS . 36.2 tp -132.89 -12.47 2.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.255 -0.43 . . . . 1.0 109.985 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.69 85.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.184 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.664 HD13 ' H ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -158.88 146.49 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.287 -0.634 . . . . 1.0 109.287 -178.23 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.664 ' H ' HD13 ' A' ' 51' ' ' LEU . 57.9 m -74.21 114.92 13.11 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.263 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.575 ' CD ' ' H ' ' A' ' 53' ' ' GLN . 26.5 mp0 -56.84 -3.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.993 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 52' ' ' SER . 23.1 t -81.9 -19.78 40.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.729 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -97.45 -42.45 7.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.264 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.679 HG23 ' N ' ' A' ' 57' ' ' SER . 30.9 m -44.99 -62.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.807 -0.357 . . . . 1.0 111.144 -176.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.679 ' N ' HG23 ' A' ' 56' ' ' VAL . 8.6 t -47.1 -39.27 12.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.807 0.337 . . . . 1.0 110.907 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -70.94 -32.5 69.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.077 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.56 -51.67 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.291 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 14.2 mt -54.07 -57.56 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.544 -0.298 . . . . 1.0 111.548 -177.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -39.39 -65.32 0.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 1.0 111.581 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -57.86 -46.38 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.666 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.15 -37.99 84.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.504 -175.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' A' ' 70' ' ' LYS . 67.8 mttm -80.17 -38.14 31.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.318 . . . . 1.0 111.005 -178.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 67' ' ' HIS . 11.6 t -52.92 -43.54 66.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.357 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 66' ' ' VAL . 4.4 m -60.51 0.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.002 -177.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' A' ' 65' ' ' SER . 7.4 t-80 73.66 15.91 3.96 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.27 0.356 . . . . 1.0 111.9 176.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.5 mt -81.79 -74.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 1.0 110.13 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.4 t -76.55 149.5 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.946 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 97.0 mttt -111.96 -176.01 2.83 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.134 -0.484 . . . . 1.0 109.959 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.97 152.03 14.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 1.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -141.06 159.45 42.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.648 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 ptt85 -133.44 127.8 34.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.999 0.428 . . . . 1.0 110.547 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -159.57 68.53 0.41 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.177 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.63 -78.89 0.2 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.316 -1.114 . . . . 1.0 110.316 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -155.77 -72.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.1 m -62.69 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.642 . . . . 1.0 109.928 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.8 mtt -125.79 112.33 15.92 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.786 0.327 . . . . 1.0 110.458 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.1 mm -85.19 92.87 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.309 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -67.54 152.88 44.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.635 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.8 t -171.09 138.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.006 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -88.95 -172.18 3.59 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.912 -0.403 . . . . 1.0 109.912 178.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 17.2 p-10 -127.69 -49.96 1.37 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.231 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' A' ' 86' ' ' HIS . 21.8 m-20 -74.84 82.58 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.474 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -61.53 -0.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.54 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' A' ' 84' ' ' ASP . 7.5 t60 -68.01 -44.8 75.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.0 t -55.88 -48.91 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.673 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.44 -53.24 11.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.2 p -68.94 -45.07 71.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.548 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.2 ttt -47.0 -30.32 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.637 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 91' ' ' LEU . 2.8 tt -71.4 -65.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.953 -0.388 . . . . 1.0 109.953 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -47.69 -42.52 25.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.374 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -53.31 -32.37 48.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.271 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.28 -45.45 47.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.502 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.2 mm -69.73 -5.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.268 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.468 ' C ' ' H ' ' A' ' 98' ' ' ALA . 4.2 t-80 -84.2 -67.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.71 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.44 -6.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.811 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 96' ' ' HIS . . . -78.75 53.49 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.68 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -164.63 101.63 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.664 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -58.1 149.57 55.93 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.05 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.69 17.19 0.57 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.844 1.696 . . . . 1.0 111.821 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -172.24 135.47 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.307 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.591 179.719 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 m120 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' B' ' 11' ' ' ASP . 11.5 p -146.63 -130.64 0.07 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.074 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.505 ' N ' ' OG1' ' B' ' 10' ' ' THR . 9.7 m-20 -159.75 -51.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.311 . . . . 1.0 110.418 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -58.73 -35.14 72.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.668 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -72.49 -36.3 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.556 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -50.79 -26.51 5.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.333 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mmm-85 -73.34 -42.55 62.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.358 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 5.2 t -66.04 -22.93 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.387 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 75.9 m -84.26 -19.11 34.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.616 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.38 -31.12 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.879 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 pt -72.05 -38.3 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.844 -0.342 . . . . 1.0 110.663 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.424 ' O ' HD11 ' B' ' 23' ' ' LEU . 44.8 m-85 -64.44 -39.87 94.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.416 -0.514 . . . . 1.0 110.233 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -81.28 -9.33 59.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.91 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.58 -58.38 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.003 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.427 ' C ' HD12 ' B' ' 23' ' ' LEU . 0.3 OUTLIER -68.77 -171.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.498 -178.816 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.54 -75.52 0.04 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.25 -179.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 1.0 110.724 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.441 ' C ' ' H ' ' B' ' 28' ' ' ARG . 16.7 m-85 -99.99 -47.03 5.15 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.01 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -64.63 3.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.78 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' B' ' 26' ' ' TYR . 2.2 tmt_? -58.25 -29.86 66.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.165 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' B' ' 32' ' ' MET . 16.1 mt -81.73 -46.13 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.8 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 -42.36 -46.43 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.08 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.8 pt -74.72 -29.35 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.538 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' ILE . 20.9 ttt -64.66 -46.37 82.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.851 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.59 -21.37 65.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.832 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -78.06 -39.45 41.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.685 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.455 ' C ' ' N ' ' B' ' 37' ' ' VAL . 35.9 mt -67.11 -27.15 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.704 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -46.88 -17.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 1.0 110.224 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.455 ' N ' ' C ' ' B' ' 35' ' ' LEU . 5.4 p -171.63 77.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.581 -0.736 . . . . 1.0 109.808 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 33.9 t -172.42 178.81 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.561 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -178.34 132.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.224 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.25 -177.72 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.861 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.419 ' O ' HG22 ' B' ' 45' ' ' ILE . 24.5 m -77.4 176.53 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.325 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.5 t -75.14 -39.94 43.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.009 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.64 -55.74 2.5 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -43.48 -49.52 7.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.769 0.319 . . . . 1.0 111.134 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.419 HG22 ' O ' ' B' ' 41' ' ' SER . 14.7 tt -55.53 -25.49 17.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.906 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -74.49 -65.06 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.162 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.4 ' NE2' ' OE1' ' B' ' 53' ' ' GLN . 34.5 m80 -52.0 -48.51 64.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.153 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.58 -50.65 62.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.784 -177.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 mt -80.65 8.58 7.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.226 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 59.31 53.64 5.19 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.765 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 33.4 mt -129.63 154.66 46.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.244 -0.435 . . . . 1.0 109.965 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.7 t -79.94 116.54 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.568 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.4 ' OE1' ' NE2' ' B' ' 47' ' ' HIS . 51.7 mt-30 -42.91 -55.78 3.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.997 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' B' ' 55' ' ' ASN . 82.8 p -44.16 -64.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.888 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.427 ' N ' ' OG ' ' B' ' 54' ' ' SER . 64.0 t30 -53.74 -50.71 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.516 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.5 t -50.12 -68.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.392 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.5 p -45.83 -47.49 15.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.778 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -60.58 -26.31 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.724 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -71.56 -48.64 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.865 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 mt -55.79 -41.02 73.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 1.0 110.587 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -46.64 -57.82 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.461 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 tp -47.76 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.386 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.615 ' H ' HD12 ' B' ' 63' ' ' LEU . 9.2 mp -42.36 -51.62 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.891 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -43.68 -53.0 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.152 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.512 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 10.6 m -64.5 -29.5 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.233 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.458 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 25.9 t -81.54 -6.99 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.754 -178.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' B' ' 65' ' ' SER . 1.2 m170 75.73 20.59 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.635 177.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 26.2 mt -83.98 -9.24 58.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.142 -0.223 . . . . 1.0 110.731 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -152.53 139.0 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.014 0.435 . . . . 1.0 111.053 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -98.62 168.67 10.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.788 -0.642 . . . . 1.0 109.765 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -149.18 116.52 6.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.822 0.344 . . . . 1.0 110.724 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -82.14 134.86 35.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.47 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -78.04 117.24 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.726 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -142.37 103.0 4.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.528 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 -145.56 37.37 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -62.87 -61.81 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.672 0.273 . . . . 1.0 111.048 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 66.5 m -85.26 -167.6 1.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.876 0.37 . . . . 1.0 110.982 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.8 mtt -141.47 132.94 26.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.25 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.3 mt -83.11 120.31 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.714 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -78.1 132.52 37.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.559 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -164.18 132.56 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.705 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.414 ' C ' HD12 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -80.17 -168.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.057 179.242 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -154.19 -31.01 0.11 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.626 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' B' ' 84' ' ' ASP . 1.2 p30 -70.8 88.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.43 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.0 pt -76.69 2.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -64.92 -45.67 84.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.588 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.418 ' H ' HG12 ' B' ' 87' ' ' VAL . 4.0 p -71.87 -29.19 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.587 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.26 97.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.656 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 27.7 p -73.35 -40.42 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.611 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 77.4 mtp -63.53 -20.62 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.486 HD23 ' C ' ' B' ' 91' ' ' LEU . 3.2 tt -72.44 -64.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.186 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 96' ' ' HIS . 75.4 mttt -50.37 -60.53 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.68 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -41.28 -37.64 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.202 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.87 -59.0 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.839 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 23.5 pt -81.24 -1.76 5.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.217 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' B' ' 92' ' ' LYS . 58.7 t-80 -81.09 -27.58 35.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 1.0 110.478 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.478 ' ND1' ' N ' ' B' ' 98' ' ' ALA . 0.0 OUTLIER -50.44 -21.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.638 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.478 ' N ' ' ND1' ' B' ' 97' ' ' HIS . . . -64.53 -25.62 68.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.56 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -94.14 143.28 26.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.436 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.446 ' N ' ' ND1' ' B' ' 100' ' ' HIS . 1.3 p-80 -78.36 148.94 74.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.026 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.25 150.12 36.68 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 121.82 1.68 . . . . 1.0 112.127 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.494 ' N ' ' CD ' ' B' ' 102' ' ' LYS . 0.7 OUTLIER -80.15 6.38 11.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.275 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.382 -179.821 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.6 t30 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.6 p -151.1 -39.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.806 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -158.38 -29.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.934 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 12' ' ' THR . 0.1 OUTLIER -60.48 -36.0 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.669 -179.633 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' O ' HG22 ' A' ' 16' ' ' VAL . 6.2 tp -62.0 -40.33 95.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.455 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -50.7 -21.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.898 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -66.42 -60.4 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.077 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 13' ' ' LEU . 9.6 m -57.9 -15.67 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.569 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -78.82 -26.72 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.242 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -77.19 -43.11 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.285 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.407 ' H ' HG12 ' A' ' 19' ' ' ILE . 12.3 pt -58.89 -38.18 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.92 -0.312 . . . . 1.0 111.254 -177.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -71.27 -35.89 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.18 -0.608 . . . . 1.0 109.92 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -53.04 -28.1 22.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.737 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.51 96.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.773 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 3.5 mm? -51.82 130.27 28.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.043 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -172.85 128.43 1.53 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 0.5 OUTLIER 58.29 119.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 1.0 110.806 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.461 ' C ' ' N ' ' A' ' 28' ' ' ARG . 12.3 p90 -50.95 -34.0 26.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.538 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -45.22 -18.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.1 0.476 . . . . 1.0 110.442 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' N ' ' C ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -60.12 -54.03 50.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.332 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mt -62.44 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -43.09 -73.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.819 0.342 . . . . 1.0 111.101 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.52 HG23 ' N ' ' A' ' 32' ' ' MET . 14.0 tt -52.16 -46.23 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.618 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.52 ' N ' HG23 ' A' ' 31' ' ' ILE . 3.0 tpt -46.05 -35.05 4.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.041 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.65 -32.58 65.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.473 -0.33 . . . . 1.0 111.02 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.2 tp -74.24 -40.2 62.56 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.499 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.475 ' C ' ' N ' ' A' ' 37' ' ' VAL . 49.1 mt -61.96 -25.74 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t -45.06 -17.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 1.0 110.645 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.475 ' N ' ' C ' ' A' ' 35' ' ' LEU . 73.7 t -82.59 -46.59 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.039 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' LEU . 3.9 p 79.69 48.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.839 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -171.49 81.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.845 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.55 128.18 5.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.628 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.3 t -56.68 156.96 5.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.224 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.78 -40.39 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.039 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.46 -48.86 9.92 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.511 -0.636 . . . . 1.0 111.511 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -42.68 -42.28 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.71 0.291 . . . . 1.0 111.145 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 mm -49.44 -39.68 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.717 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 47' ' ' HIS . 86.6 p -71.9 -70.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.91 0.386 . . . . 1.0 111.282 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.666 ' CE1' HE21 ' A' ' 53' ' ' GLN . 29.0 m-70 -55.94 -51.59 67.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.404 -177.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -57.99 -57.92 10.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.373 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -73.9 3.44 6.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.73 -176.549 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 60.37 61.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.89 -0.324 . . . . 1.0 111.279 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.6 mt -134.32 155.45 50.21 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.48 ' C ' ' H ' ' A' ' 54' ' ' SER . 10.3 t -79.86 127.5 32.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.661 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.666 HE21 ' CE1' ' A' ' 47' ' ' HIS . 22.2 mp0 -52.8 -5.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.537 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 52' ' ' SER . 20.0 m -85.91 -24.39 26.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 1.0 110.372 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -84.66 -50.4 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.166 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.75 HG23 ' H ' ' A' ' 57' ' ' SER . 26.8 m -53.72 -64.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.916 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.75 ' H ' HG23 ' A' ' 56' ' ' VAL . 7.0 t -40.29 -48.63 2.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.328 . . . . 1.0 111.379 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -71.6 -27.33 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.493 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 56' ' ' VAL . 4.4 tp-100 -63.8 -66.62 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.991 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -47.42 -38.89 14.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.644 0.259 . . . . 1.0 111.184 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -44.55 -62.86 1.04 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.722 0.296 . . . . 1.0 110.837 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.79 -64.84 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.372 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 mt -37.05 -51.22 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.834 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -59.2 -38.13 79.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.546 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 67' ' ' HIS . 29.7 p -70.76 -52.99 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.504 -0.317 . . . . 1.0 111.579 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.1 m -53.76 -4.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.66 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' A' ' 65' ' ' SER . 10.8 t-80 72.63 16.14 4.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.747 0.277 . . . . 1.0 111.747 177.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.34 -79.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.163 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 m -74.59 155.7 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 1.0 110.813 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -129.77 146.5 51.52 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.202 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.67 163.41 15.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -151.34 143.54 24.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.412 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.3 ptt85 -139.4 106.25 5.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.963 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -158.43 83.86 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.418 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.73 -170.24 45.73 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.371 -1.091 . . . . 1.0 110.371 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 40.89 -99.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 1.0 111.095 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 m -162.13 -170.48 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 58.7 mtm -67.59 118.46 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.37 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 82.8 mt -132.96 117.05 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.215 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -91.07 141.32 28.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.588 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.0 t -159.62 179.08 9.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.535 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.35 -158.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.534 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -169.13 -58.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.423 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.2 111.44 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.455 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.3 tt -67.11 -23.53 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.663 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -68.21 -57.71 5.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.77 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.2 t -51.71 -37.88 20.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.877 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.65 -41.98 87.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.719 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.404 ' H ' ' HG1' ' A' ' 89' ' ' THR . 22.2 p -73.79 -50.27 21.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.592 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 93.4 mtp -44.29 -29.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.97 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.472 HD23 ' C ' ' A' ' 91' ' ' LEU . 2.3 tt -74.18 -60.33 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.077 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -47.14 -61.08 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.535 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -43.99 -39.83 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.066 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -61.69 -63.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.977 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 95' ' ' ILE . 19.5 pt -74.62 -1.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.126 -178.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -75.37 -41.28 56.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 1.0 110.458 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -79.56 -8.62 59.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.688 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.94 54.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.625 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -119.43 176.65 5.25 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.388 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -173.57 68.65 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.522 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.16 -52.24 0.06 OUTLIER 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.427 2.085 . . . . 1.0 112.222 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -79.83 132.74 36.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.548 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.009 -0.996 . . . . 1.0 110.551 -179.824 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 24.6 m120 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.425 -0.583 . . . . 1.0 109.425 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.47 ' C ' ' H ' ' B' ' 12' ' ' THR . 3.3 m -152.07 5.42 0.42 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.192 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 59.38 1.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.795 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.47 ' H ' ' C ' ' B' ' 10' ' ' THR . 11.1 m -79.59 -58.07 3.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.812 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 21.5 mt -79.05 -13.99 59.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.813 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -55.07 -35.39 64.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.497 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -67.43 -50.06 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.382 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.48 -20.63 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.383 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.9 m -80.54 -25.95 38.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.218 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -66.34 -28.56 68.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.417 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 40.3 mt -74.31 -58.5 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.494 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -64.39 -45.19 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.757 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -50.63 -41.01 54.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.47 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.22 70.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.43 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.541 HD23 ' N ' ' B' ' 24' ' ' GLY . 2.1 tt -45.5 125.42 5.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.314 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.541 ' N ' HD23 ' B' ' 23' ' ' LEU . . . -159.83 124.48 1.35 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.14 -0.784 . . . . 1.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' B' ' 27' ' ' ASN . 9.4 m-20 57.17 114.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 1.0 110.656 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -58.31 -3.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.475 ' H ' ' C ' ' B' ' 25' ' ' ASP . 27.8 m-20 -62.89 -17.62 61.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.684 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -61.02 -56.6 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.722 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mm -45.09 -51.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.476 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -45.7 -52.24 11.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.577 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' B' ' 34' ' ' LEU . 83.4 mt -67.07 -62.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.465 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 64.5 mmm -44.35 -32.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.819 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -74.5 -31.44 62.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.82 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.507 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -72.1 -38.01 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.279 -178.749 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.47 -45.57 75.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.887 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 51.5 p -46.12 -24.04 0.39 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.794 0.331 . . . . 1.0 110.539 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -78.14 -41.84 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.652 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.511 ' OG ' ' N ' ' B' ' 39' ' ' GLU . 12.3 t -177.64 -113.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.782 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.511 ' N ' ' OG ' ' B' ' 38' ' ' SER . 8.5 pt-20 -166.29 165.47 17.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 1.0 110.464 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.21 176.02 11.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.588 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -69.83 164.21 24.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.592 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.508 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.8 p -63.37 -42.34 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 1.0 111.384 -178.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.508 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -84.66 -66.77 1.45 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.961 -0.456 . . . . 1.0 111.961 -177.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -39.57 -48.89 2.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.677 0.251 . . . . 1.0 111.677 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 tt -44.81 -32.12 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.963 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -75.46 -42.14 53.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.236 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -59.22 -54.46 46.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.16 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -66.05 -44.55 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.151 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.25 -9.46 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 1.0 110.515 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 67.2 69.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.227 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -140.54 149.01 41.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.043 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.478 ' C ' ' H ' ' B' ' 54' ' ' SER . 17.4 t -77.94 116.74 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.254 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.66 -3.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.444 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.478 ' H ' ' C ' ' B' ' 52' ' ' SER . 8.3 t -76.73 -42.11 42.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 1.0 110.494 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' B' ' 59' ' ' GLN . 1.5 m-20 -87.26 -36.41 17.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.78 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' B' ' 59' ' ' GLN . 92.2 t -43.24 -76.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.325 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -43.4 -47.64 6.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.048 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -65.44 -29.35 70.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.612 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 55' ' ' ASN . 5.3 tp-100 -66.86 -59.38 3.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.785 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' B' ' 60' ' ' LEU . 39.6 mt -44.11 -33.7 1.57 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.839 0.352 . . . . 1.0 110.858 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -51.58 -52.32 48.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.733 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.19 -27.44 69.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.358 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 63' ' ' LEU . 3.4 mm? -76.15 -46.65 27.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.621 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.495 ' C ' ' H ' ' B' ' 66' ' ' VAL . 58.2 tttm -75.02 -37.77 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.394 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -58.8 0.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.506 -0.315 . . . . 1.0 111.556 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.495 ' H ' ' C ' ' B' ' 64' ' ' LYS . 2.5 t -133.8 15.44 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.665 0.269 . . . . 1.0 110.724 -178.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.4 m170 62.23 15.93 7.96 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.195 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 68' ' ' LEU . 0.8 OUTLIER -76.51 -21.91 55.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.115 0.483 . . . . 1.0 109.765 179.515 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -150.46 144.18 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.437 ' CD ' ' N ' ' B' ' 70' ' ' LYS . 3.2 mptp? -96.33 154.91 17.0 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -149.06 100.42 3.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.253 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.428 ' CB ' ' NZ ' ' B' ' 72' ' ' LYS . 2.1 ttmp? -155.35 152.75 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.323 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -82.1 163.25 22.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.744 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -156.09 66.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.905 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.21 27.41 61.98 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.624 -0.59 . . . . 1.0 111.624 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -153.53 -81.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.684 0.278 . . . . 1.0 110.429 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 73.3 p -166.81 -169.46 1.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 21.5 mmt -64.95 119.65 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.363 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.409 ' O ' HG23 ' B' ' 79' ' ' ILE . 14.4 tt -145.95 124.82 5.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.878 0.37 . . . . 1.0 110.482 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 15.8 p90 -112.72 145.73 39.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.754 -178.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.9 p -160.85 174.23 14.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.725 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.582 ' N ' HD12 ' B' ' 82' ' ' LEU . 7.0 mp -87.76 120.62 29.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.278 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -85.71 -45.59 11.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -77.8 100.56 6.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.801 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 14.0 mm -61.59 -32.05 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.523 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -45.8 -46.29 15.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.702 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.6 -47.21 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.758 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.42 -62.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.096 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 18.6 m -60.72 -39.56 89.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.017 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 21.4 ttt -45.26 -35.01 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.933 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 94' ' ' ALA . 13.6 mt -74.23 -61.35 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.55 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' B' ' 96' ' ' HIS . 0.9 OUTLIER -45.8 -33.25 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 1.0 110.317 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.51 -30.78 70.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.695 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -73.71 -45.56 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.98 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.673 ' N ' HD12 ' B' ' 95' ' ' ILE . 1.9 mp -73.49 -7.85 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.514 -0.312 . . . . 1.0 110.23 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' B' ' 92' ' ' LYS . 1.9 m-70 -86.29 -47.39 9.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.516 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -50.85 -36.28 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.452 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.54 -18.73 65.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.607 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -88.02 96.33 10.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.561 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 20.8 t-80 -168.58 58.95 0.39 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' B' ' 102' ' ' LYS . 83.6 Cg_endo -77.33 157.34 33.19 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.608 2.205 . . . . 1.0 111.83 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 101' ' ' PRO . 35.3 ttpt 55.62 112.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.77 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.043 -0.979 . . . . 1.0 110.547 179.821 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.5 m120 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.6 m -153.62 108.51 3.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.461 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.4 -11.47 57.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.706 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.6 m -68.62 -60.18 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.728 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.6 mt -72.84 -20.05 61.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.465 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.01 -35.56 62.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.577 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -75.66 -41.16 54.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.77 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.42 -26.75 27.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.602 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -79.68 -28.88 40.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.131 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.91 -37.54 87.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.164 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.46 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 69.8 mt -61.84 -61.21 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.49 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -62.75 -45.16 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.653 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.31 -17.07 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.652 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -67.33 -44.04 80.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.591 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' ' CD1' ' B' ' 20' ' ' PHE . 13.9 mt -55.49 163.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.477 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.561 ' H ' ' NE ' ' A' ' 28' ' ' ARG . . . -173.42 -83.58 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.712 ' H ' HH21 ' A' ' 28' ' ' ARG . 64.4 m-20 -61.37 178.65 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 1.0 110.597 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -100.27 -49.63 4.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.465 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -69.34 3.24 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.209 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.712 HH21 ' H ' ' A' ' 25' ' ' ASP . 4.2 ptp180 -60.98 -32.52 72.08 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.842 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.549 HG23 ' N ' ' A' ' 30' ' ' ARG . 16.1 tt -83.03 -45.67 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.952 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.549 ' N ' HG23 ' A' ' 29' ' ' ILE . 36.9 mtm180 -38.32 -41.56 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.541 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.91 -53.56 25.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.452 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.6 mtp -46.18 -32.44 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.791 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' OG ' ' A' ' 36' ' ' SER . 43.8 mt-10 -66.34 -74.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.771 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.3 tp -49.0 -30.71 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.613 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 38' ' ' SER . 11.0 tp -70.21 -54.77 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.631 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 24.7 p -45.34 -23.56 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.75 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.17 -35.38 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.911 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 35' ' ' LEU . 17.2 m -165.61 -138.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.839 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.7 166.68 31.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.421 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.17 -177.92 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.648 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -71.92 168.75 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.7 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 t -65.37 -52.45 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.384 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.99 -43.61 8.11 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.228 -0.511 . . . . 1.0 111.88 -176.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -45.54 -28.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.369 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.4 mt -77.88 -25.37 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.973 -0.291 . . . . 1.0 110.993 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' GLY . 3.5 m -68.91 -51.13 43.2 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.95 -0.3 . . . . 1.0 111.372 -177.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -70.7 -50.35 37.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.249 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -61.71 -46.42 89.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.396 . . . . 1.0 111.136 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 tp -76.89 -1.69 29.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 1.0 110.821 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.55 65.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.946 0.403 . . . . 1.0 110.421 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tp -144.57 153.39 41.76 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.253 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 54' ' ' SER . 13.9 t -82.23 124.63 30.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.807 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -61.04 1.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.427 -0.351 . . . . 1.0 111.212 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 52' ' ' SER . 53.6 p -88.62 -26.08 22.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 1.0 110.338 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -86.33 -41.8 14.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.186 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.644 HG23 ' H ' ' A' ' 57' ' ' SER . 29.2 m -42.56 -59.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.202 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.644 ' H ' HG23 ' A' ' 56' ' ' VAL . 23.2 m -39.62 -64.89 0.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.726 0.298 . . . . 1.0 111.39 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -61.15 -30.97 70.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.577 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.62 HE22 ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -62.18 -67.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.612 -178.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.42 -47.02 85.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.85 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -44.5 -53.73 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.827 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.9 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.558 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.62 ' CD1' HE22 ' A' ' 59' ' ' GLN . 27.1 mt -44.55 -53.65 6.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.92 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -47.4 -49.43 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.042 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.2 m -61.44 -36.01 79.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.188 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 66' ' ' VAL . 33.4 t -77.87 -3.59 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.682 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 71.41 15.91 6.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.56 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.5 mt -79.96 -13.68 59.16 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.001 -0.37 . . . . 1.0 110.001 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.7 t -148.58 132.33 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.182 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -96.67 -172.47 2.5 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.512 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.08 108.09 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.404 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -75.05 138.85 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.562 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -109.86 90.54 3.34 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.74 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.65 113.51 25.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 38.06 53.36 2.08 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.859 -0.496 . . . . 1.0 111.859 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 67.78 77.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 1.0 110.648 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 t -169.45 104.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.59 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 33.0 mtt -81.98 110.09 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.665 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.52 116.22 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.887 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -73.41 126.13 29.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.85 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.5 m -151.28 142.12 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.662 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.1 tp -90.85 114.06 26.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.313 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.79 -37.77 67.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.559 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 4.5 m-20 -82.35 87.58 6.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.661 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 85' ' ' ILE . 70.6 mt -77.56 -11.28 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.423 ' ND1' ' N ' ' A' ' 86' ' ' HIS . 2.3 m-70 -61.68 -54.4 43.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.978 -179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.05 -26.8 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.308 . . . . 1.0 110.643 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 85' ' ' ILE . . . -55.43 -48.07 75.01 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.137 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.6 m -63.59 -37.1 86.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 90' ' ' MET . 10.8 tmm? -46.59 -35.38 5.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.691 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 91' ' ' LEU . 3.3 mm? -72.84 -55.95 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.955 -0.387 . . . . 1.0 109.955 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -41.35 -47.72 3.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -66.55 -32.19 73.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.662 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -68.0 -51.69 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.761 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.8 mm -63.61 -11.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.655 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.514 ' O ' ' ND2' ' A' ' 99' ' ' ASN . 4.7 t-80 -83.45 -41.46 18.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.504 -0.317 . . . . 1.0 110.568 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.48 ' O ' ' ND1' ' A' ' 97' ' ' HIS . 1.5 t60 -71.35 2.9 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.493 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.54 67.84 0.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 96' ' ' HIS . 7.4 m-80 -136.81 177.0 8.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.387 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -162.44 59.39 0.93 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.619 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.54 105.01 2.0 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.718 2.279 . . . . 1.0 111.981 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -76.08 179.3 5.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.619 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.54 179.866 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -123.79 -75.31 0.6 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.289 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -172.9 -59.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.736 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.9 m -70.84 -34.31 71.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.78 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 tp -58.86 -45.42 90.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.347 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -46.98 -50.4 19.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.736 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -51.26 -37.42 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.32 -22.16 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.533 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.7 m -79.89 -24.59 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.354 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' B' ' 22' ' ' ALA . 20.0 tp10 -70.07 -35.62 74.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.555 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.0 mt -64.57 -58.22 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.682 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.458 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 65.0 m-85 -65.82 -41.84 91.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.876 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -65.39 -33.04 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.857 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' B' ' 18' ' ' GLU . . . -59.05 -44.32 91.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.595 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tp -47.12 149.87 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.476 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.522 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -167.83 133.46 2.9 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' B' ' 24' ' ' GLY . 46.2 t0 57.97 117.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 1.0 110.709 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -56.69 -20.98 24.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.758 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.438 ' OD1' ' NH2' ' B' ' 30' ' ' ARG . 55.9 t30 -59.29 -15.52 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.701 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.522 ' NH1' ' O ' ' B' ' 24' ' ' GLY . 0.0 OUTLIER -66.9 -35.3 79.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.539 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.95 -52.71 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.438 ' NH2' ' OD1' ' B' ' 27' ' ' ASN . 57.7 ttp180 -42.21 -46.09 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.062 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.38 -51.8 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.55 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 23.8 ttt -45.95 -31.71 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.766 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.98 -55.24 11.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.732 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.75 -37.72 85.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.36 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.4 tp -65.09 -21.57 66.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.332 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.7 t -77.92 -12.92 60.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.497 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.417 ' O ' ' OG ' ' B' ' 38' ' ' SER . 45.4 t -83.92 -40.66 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.63 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 59.7 m -167.22 -121.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.658 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.04 171.22 11.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 1.0 110.621 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.15 -178.16 6.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.438 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.482 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 9.5 p -70.76 165.95 21.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.495 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -66.31 -38.35 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.093 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -86.03 -57.67 2.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.478 -0.649 . . . . 1.0 111.478 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.482 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 0.2 OUTLIER -40.67 -48.72 2.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.812 0.339 . . . . 1.0 111.167 -178.394 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.435 HG22 ' O ' ' B' ' 41' ' ' SER . 15.5 tt -57.59 -33.99 46.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.44 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.482 ' N ' ' O ' ' B' ' 43' ' ' GLY . 10.1 m -71.2 -73.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.39 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -47.42 -47.82 26.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.141 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -51.83 -51.56 55.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.04 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.4 mt -83.4 10.09 9.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.417 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 66.8 t30 59.73 67.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 1.0 110.952 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.428 HD21 ' NH2' ' B' ' 30' ' ' ARG . 83.2 mt -138.54 149.17 45.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.989 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.463 ' C ' ' H ' ' B' ' 54' ' ' SER . 15.1 t -78.65 116.82 19.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.442 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -58.35 -2.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.02 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.463 ' H ' ' C ' ' B' ' 52' ' ' SER . 30.5 t -86.23 -28.02 24.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.51 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.68 -44.22 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.999 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.626 HG23 ' N ' ' B' ' 57' ' ' SER . 21.2 m -43.74 -55.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.118 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.626 ' N ' HG23 ' B' ' 56' ' ' VAL . 73.4 m -40.15 -38.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.304 . . . . 1.0 111.288 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -80.6 -29.33 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.783 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' B' ' 56' ' ' VAL . 82.0 mt-30 -62.36 -72.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.451 -0.34 . . . . 1.0 111.148 -178.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.4 -50.13 63.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.034 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -44.04 -63.7 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.332 -0.394 . . . . 1.0 111.091 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 tp -40.4 -52.42 2.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.534 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.57 ' N ' HD12 ' B' ' 63' ' ' LEU . 7.4 mp -66.78 -42.98 85.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.659 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.18 -17.79 63.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.942 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.4 m -81.35 -44.24 17.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.268 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.465 ' H ' HG22 ' B' ' 66' ' ' VAL . 3.9 m -76.36 12.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.055 -0.258 . . . . 1.0 111.285 -177.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 8.6 m80 70.06 17.05 7.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.325 0.491 . . . . 1.0 112.325 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.22 -83.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.586 -0.446 . . . . 1.0 110.044 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 m -78.0 160.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.793 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -130.21 -164.95 1.47 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.081 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -163.89 -165.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.97 0.415 . . . . 1.0 110.712 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -146.17 135.83 23.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.194 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -78.07 118.69 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.806 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -140.81 103.69 4.55 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.31 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.86 -134.69 46.65 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.44 ' N ' ' CD ' ' B' ' 76' ' ' GLN . 3.6 mp0 -87.23 -15.31 38.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.771 0.32 . . . . 1.0 110.703 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.507 ' OG ' ' N ' ' B' ' 78' ' ' MET . 14.3 t -101.72 -174.85 2.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.31 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.527 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -154.35 119.02 4.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.977 0.418 . . . . 1.0 109.964 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.7 mm -82.68 110.74 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.94 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -74.88 138.92 42.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.434 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.4 p -157.76 160.6 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.632 HD22 ' N ' ' B' ' 82' ' ' LEU . 2.8 mm? -81.1 -167.71 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.968 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -157.15 -61.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.34 103.15 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.58 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.58 -20.18 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.598 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.456 ' N ' ' ND1' ' B' ' 86' ' ' HIS . 1.3 m80 -50.75 -40.76 55.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.647 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.3 t -78.11 -47.29 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.843 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.95 -51.34 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.862 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 12.3 t -70.86 -33.87 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.876 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' MET . . . . . 0.449 ' SD ' ' O ' ' B' ' 90' ' ' MET . 1.6 tmt? -57.45 -27.98 62.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.502 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 33.4 tp -80.15 -34.49 37.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.062 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -59.35 -60.59 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.767 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -55.94 -28.07 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.714 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.64 -49.35 63.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.95 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.474 HG22 ' O ' ' B' ' 95' ' ' ILE . 86.4 mt -77.51 -8.81 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.989 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -81.64 -40.03 23.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 1.0 110.601 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' B' ' 99' ' ' ASN . 46.0 t-80 -67.31 -31.75 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.639 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.31 -15.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.565 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' B' ' 97' ' ' HIS . 18.5 p-10 -167.8 -145.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.522 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.415 ' O ' ' ND1' ' B' ' 100' ' ' HIS . 60.6 t-80 52.68 60.36 12.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.577 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.31 128.38 11.2 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.637 2.225 . . . . 1.0 111.929 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -67.57 -170.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.512 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.043 -0.98 . . . . 1.0 110.644 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.8 m120 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 10' ' ' THR . 9.0 t -164.41 128.8 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.507 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' H ' ' H ' ' A' ' 12' ' ' THR . 1.4 p30 -153.86 -10.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.357 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.414 ' H ' ' H ' ' A' ' 11' ' ' ASP . 20.9 m -108.35 -53.07 2.68 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.817 177.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 tp -69.6 -31.75 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.347 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 17' ' ' THR . 76.6 tt0 -54.6 -14.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.732 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -77.09 -59.12 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.952 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.416 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 23.5 m -61.39 -15.5 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.774 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 33.5 p -78.5 -39.17 38.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.545 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.05 -26.44 68.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.587 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.62 -67.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.812 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 20.0 m-85 -56.34 -42.27 77.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.356 . . . . 1.0 111.022 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -57.84 -33.26 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.721 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.58 88.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.731 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -55.38 157.99 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.5 -91.94 0.08 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.776 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 70.3 m-20 -57.76 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.317 . . . . 1.0 110.502 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.428 ' C ' ' H ' ' A' ' 28' ' ' ARG . 34.2 t80 -99.81 -44.34 6.11 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.344 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -64.67 3.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.388 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.776 ' HE ' ' H ' ' A' ' 25' ' ' ASP . 34.8 mmt180 -50.62 -55.2 17.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 1.0 110.92 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.77 -33.02 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.478 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -47.04 -73.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.909 -0.317 . . . . 1.0 111.086 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 pt -54.72 -37.98 41.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.881 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.3 ttt -53.92 -31.59 50.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.634 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.47 -25.86 59.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.986 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 tp -77.34 -41.9 38.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.886 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.77 -24.82 66.24 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.66 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.509 ' O ' HG13 ' A' ' 37' ' ' VAL . 17.8 p -64.21 -21.57 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.793 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 36' ' ' SER . 15.6 m -160.05 55.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.765 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.6 m 163.26 98.66 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.161 -0.311 . . . . 1.0 110.161 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -84.84 152.86 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.204 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.25 179.69 7.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 1.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.5 p -83.02 -173.34 4.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.366 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.2 t -78.44 -38.17 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.106 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.27 -60.62 2.35 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.313 -0.715 . . . . 1.0 111.313 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -43.08 -55.37 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.712 0.292 . . . . 1.0 111.081 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 46' ' ' SER . 20.2 tt -53.82 -35.3 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.316 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 45' ' ' ILE . 9.2 t -76.29 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.028 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -52.09 -50.15 62.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.05 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' ASN . 30.7 mt-30 -55.69 -62.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.03 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 49' ' ' LEU . 7.4 mp -65.01 6.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.908 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.469 ' H ' ' C ' ' A' ' 48' ' ' GLN . 5.2 m120 62.14 31.24 17.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.547 0.213 . . . . 1.0 111.506 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 mt -103.52 150.84 23.53 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 54' ' ' SER . 43.2 m -78.16 111.59 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.497 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -56.16 -5.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 52' ' ' SER . 7.8 t -78.88 -42.27 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.416 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.64 -36.7 32.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.583 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 59' ' ' GLN . 98.0 t -46.0 -64.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.685 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 p -43.09 -45.6 5.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.927 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -70.84 -32.16 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.361 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 56' ' ' VAL . 7.9 tt0 -64.05 -59.53 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.817 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.78 -39.01 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.722 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -45.67 -60.85 1.97 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.515 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 tp -46.7 -66.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.548 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.9 mp -45.11 -51.81 9.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.632 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -52.83 -61.46 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.802 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 t -53.88 -30.6 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.496 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 66' ' ' VAL . 68.4 t -79.92 -6.36 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.732 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 70.17 19.33 6.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.943 0.401 . . . . 1.0 110.762 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -82.25 -0.67 46.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.14 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -155.19 148.94 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.38 . . . . 1.0 110.829 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -104.98 122.12 45.17 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.241 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 170.07 11.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.877 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -154.96 134.8 12.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.431 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -90.99 114.67 27.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 76' ' ' GLN . 41.0 mt-30 -139.2 133.95 32.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.906 0.384 . . . . 1.0 110.699 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.35 -73.65 0.09 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.202 -0.759 . . . . 1.0 111.202 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 74' ' ' GLN . 47.5 tt0 -157.67 -56.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 78' ' ' MET . 37.8 t -63.49 -167.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.639 . . . . 1.0 109.549 177.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -131.31 101.71 5.67 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.0 mm -75.77 111.26 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.699 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -76.52 140.16 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.516 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.4 p -152.99 147.92 26.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.543 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -70.98 -167.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.678 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -160.09 -34.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.395 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.85 141.53 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.555 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.2 mm -103.5 -19.34 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.407 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 89' ' ' THR . 7.2 m170 -79.48 -41.33 27.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.983 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.1 t -43.56 -37.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.119 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.04 -29.72 43.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.772 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 86' ' ' HIS . 86.4 m -78.26 -45.0 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.07 -178.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.6 ptm -69.65 -25.76 64.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.076 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.5 tp -71.1 -64.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 1.0 110.351 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -47.62 -30.4 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.147 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -63.27 -33.84 76.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.59 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 -41.25 76.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.377 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.725 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -78.9 -9.0 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.913 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -77.52 -31.98 53.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.553 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' ASN . 22.6 m-70 -74.56 10.09 1.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.663 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.87 69.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.56 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' HIS . 21.7 t-20 -161.09 159.48 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.605 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -64.2 151.41 90.57 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -74.45 126.78 10.55 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 121.844 1.696 . . . . 1.0 111.804 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -68.98 144.97 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.537 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.022 -0.99 . . . . 1.0 110.511 -179.626 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.415 ' O ' ' OG1' ' B' ' 10' ' ' THR . 46.0 m-80 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.503 ' C ' ' H ' ' B' ' 12' ' ' THR . 11.3 m -167.1 -27.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.572 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 72.12 -27.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.986 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.503 ' H ' ' C ' ' B' ' 10' ' ' THR . 7.7 m -71.27 -70.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 1.0 110.728 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.5 HD23 ' O ' ' B' ' 13' ' ' LEU . 1.7 tt -48.74 -52.06 25.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.251 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' B' ' 17' ' ' THR . 32.9 mt-10 -47.33 -55.15 9.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.744 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -46.74 -41.29 14.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.759 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 -22.53 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.011 0.434 . . . . 1.0 110.493 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.421 ' N ' ' O ' ' B' ' 14' ' ' GLU . 15.5 m -85.48 -14.16 46.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.492 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -81.34 -34.29 31.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.755 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.473 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 13.1 pt -69.12 -37.76 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.753 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -67.57 -44.78 77.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.156 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -65.98 -16.68 64.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.026 0.441 . . . . 1.0 110.23 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -61.09 -47.31 86.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.769 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.571 ' N ' HD12 ' B' ' 23' ' ' LEU . 9.7 mp -49.74 164.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.059 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.71 -99.73 0.14 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.73 -0.948 . . . . 1.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.24 114.24 10.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.277 . . . . 1.0 110.264 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -51.96 -16.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.397 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -77.97 -12.08 59.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 1.0 110.956 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -65.87 -23.27 66.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.858 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 91.2 mt -77.39 -49.05 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.762 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -41.33 -43.73 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.153 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 87.3 mt -58.89 -44.7 91.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.607 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 34.1 tpp -59.35 -29.43 67.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.553 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.428 ' O ' HG23 ' B' ' 37' ' ' VAL . 51.3 tt0 -66.24 -30.53 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.969 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 tp -94.15 -37.37 11.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.859 0.361 . . . . 1.0 110.499 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -69.69 -45.38 68.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.481 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 47.6 t -58.27 -25.08 61.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.914 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 33' ' ' GLU . 99.0 t -75.66 -30.36 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.543 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 39.3 t -168.52 -119.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.64 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -170.22 162.3 8.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.829 0.347 . . . . 1.0 110.501 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.74 -177.99 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.53 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.524 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 3.3 p -68.52 162.97 24.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.285 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.468 HG13 ' N ' ' B' ' 43' ' ' GLY . 9.0 p -68.01 -40.33 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.116 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.468 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -81.46 -48.65 5.83 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.601 -0.6 . . . . 1.0 111.601 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.524 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 0.3 OUTLIER -42.78 -37.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.607 0.241 . . . . 1.0 111.328 -177.656 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -69.74 -30.68 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.511 -0.313 . . . . 1.0 111.288 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 88.2 p -72.44 -59.1 2.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.445 -0.343 . . . . 1.0 111.4 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -68.64 -53.64 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.307 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -51.43 -48.97 62.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.925 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.04 11.24 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.889 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.514 ' O ' ' ND2' ' B' ' 50' ' ' ASN . 0.2 OUTLIER 62.66 51.28 3.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.625 177.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -126.24 153.31 44.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.036 0.446 . . . . 1.0 110.305 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.497 ' C ' ' H ' ' B' ' 54' ' ' SER . 36.2 p -79.37 120.0 23.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.179 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.56 1.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.425 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.497 ' H ' ' C ' ' B' ' 52' ' ' SER . 8.6 t -82.87 -25.6 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.692 0.282 . . . . 1.0 110.867 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -100.41 -29.02 12.63 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.512 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.678 HG13 ' N ' ' B' ' 57' ' ' SER . 10.8 p -45.27 -62.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.052 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.678 ' N ' HG13 ' B' ' 56' ' ' VAL . 5.7 m -43.08 -36.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 1.0 111.159 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -71.6 -31.03 66.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.95 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' B' ' 56' ' ' VAL . 25.3 mm100 -63.02 -71.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.111 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' B' ' 60' ' ' LEU . 14.1 mt -44.62 -54.27 6.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.51 -0.314 . . . . 1.0 111.168 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -41.71 -56.69 2.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 1.0 111.104 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.408 ' C ' HD23 ' B' ' 62' ' ' LEU . 1.1 tt -54.25 -67.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.343 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 17.7 mt -45.75 -51.04 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.065 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -46.59 -69.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.044 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.444 ' C ' ' N ' ' B' ' 67' ' ' HIS . 52.1 p -43.83 -55.09 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.279 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.401 HG12 ' O ' ' B' ' 66' ' ' VAL . 26.6 t -53.02 -8.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.718 -177.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.444 ' N ' ' C ' ' B' ' 65' ' ' SER . 18.1 t60 71.43 18.5 5.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.451 177.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.06 -15.85 59.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.72 135.09 17.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.26 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -96.48 156.74 16.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.205 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.65 160.37 17.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.467 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.89 118.04 12.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.862 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.528 ' O ' ' NE ' ' B' ' 73' ' ' ARG . 3.0 tmm_? -109.08 81.13 1.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.123 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' B' ' 75' ' ' GLY . 12.9 tm0? -106.37 96.51 6.52 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.568 -0.901 . . . . 1.0 108.568 176.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 74' ' ' GLN . . . 61.72 125.4 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 109.733 -1.347 . . . . 1.0 109.733 -175.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' B' ' 75' ' ' GLY . 9.3 tt0 -29.23 95.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.436 0.532 . . . . 1.0 112.436 -176.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -178.05 111.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.208 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.7 mpt? -59.42 106.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.041 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 93.3 mt -134.21 118.87 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -99.64 139.61 35.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.713 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -155.48 158.83 39.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.709 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.582 ' N ' HD12 ' B' ' 82' ' ' LEU . 7.1 mp -81.79 -173.2 4.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.247 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -161.27 -47.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.515 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' B' ' 85' ' ' ILE . 48.8 t0 -52.66 157.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.55 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.459 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 17.6 pt -110.72 -8.65 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.195 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -79.39 -41.74 27.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.797 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.01 -52.83 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.767 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.65 -48.78 66.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.057 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 36.9 p -74.35 -52.68 11.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.873 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 25.1 ttt -40.44 -40.64 1.25 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.481 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -70.76 -53.23 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 1.0 110.455 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.526 ' O ' ' CD2' ' B' ' 96' ' ' HIS . 53.7 mttp -54.49 -45.38 73.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.748 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -52.96 -37.77 61.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.872 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.74 -46.54 62.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.962 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.47 HG22 ' O ' ' B' ' 95' ' ' ILE . 92.7 mt -78.48 -8.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.951 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' B' ' 92' ' ' LYS . 21.2 m170 -82.15 -37.04 26.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 1.0 110.325 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.458 ' C ' ' H ' ' B' ' 99' ' ' ASN . 35.3 m80 -47.19 -38.01 11.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.527 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' B' ' 99' ' ' ASN . . . 58.68 4.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.635 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' B' ' 97' ' ' HIS . 36.4 t30 60.54 141.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.784 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.4 t60 50.41 67.74 4.08 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.762 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.25 175.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.67 2.247 . . . . 1.0 112.123 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -55.25 -175.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.467 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLU . . . . . 0.416 ' CD ' ' N ' ' B' ' 103' ' ' GLU . 30.4 mp0 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.986 -1.007 . . . . 1.0 110.559 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -176.29 -31.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.465 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -63.83 -1.09 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.634 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.422 ' H ' ' C ' ' A' ' 10' ' ' THR . 29.5 p -80.72 -63.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.701 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' O ' ' OG1' ' A' ' 17' ' ' THR . 13.9 mt -72.56 -36.31 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.801 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.86 -54.0 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.959 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -47.4 -52.3 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.961 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.36 -10.78 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.23 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 13' ' ' LEU . 6.4 m -70.75 -22.32 62.42 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.159 -0.617 . . . . 1.0 109.857 178.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -86.89 -56.23 3.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.409 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 20' ' ' PHE . 13.4 tt -46.89 -48.77 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.854 -0.338 . . . . 1.0 111.541 -175.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' N ' HG23 ' A' ' 19' ' ' ILE . 49.1 m-85 -69.92 -40.62 75.44 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.683 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -71.05 -7.32 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 1.0 110.606 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' A' ' 24' ' ' GLY . . . -84.83 -41.98 15.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.365 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.497 ' C ' HD12 ' A' ' 23' ' ' LEU . 1.8 pp -72.78 25.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.903 -0.319 . . . . 1.0 111.457 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 22' ' ' ALA . . . -65.72 67.79 0.12 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.217 -0.753 . . . . 1.0 111.217 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.52 ' OD2' ' N ' ' A' ' 28' ' ' ARG . 26.0 t70 -173.58 86.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 1.0 110.38 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -55.44 -18.05 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.246 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -82.19 -17.29 46.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 1.0 110.779 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.52 ' N ' ' OD2' ' A' ' 25' ' ' ASP . 20.2 tpt180 -68.07 -55.8 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.988 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 30' ' ' ARG . 20.5 tt -43.24 -49.03 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.192 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.596 ' N ' HG23 ' A' ' 29' ' ' ILE . 75.0 ttt180 -46.02 -37.27 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 1.0 110.631 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' LEU . 27.7 mt -75.54 -55.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.559 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.0 mtp -45.99 -38.08 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.634 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -68.32 -33.68 74.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.573 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -78.42 -42.8 29.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 1.0 109.966 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -66.93 -16.35 64.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.221 0.534 . . . . 1.0 109.817 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' HG13 ' A' ' 37' ' ' VAL . 71.9 m -71.27 -15.81 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 36' ' ' SER . 8.7 m -156.1 65.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.862 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -155.74 -65.08 0.12 Allowed 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.968 -0.293 . . . . 1.0 111.609 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 61.51 103.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.762 -0.459 . . . . 1.0 109.762 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.73 -176.34 5.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.906 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -68.75 173.72 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.322 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 43' ' ' GLY . 7.3 p -78.41 -41.18 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.885 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.488 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -79.22 -46.39 8.21 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.168 -0.773 . . . . 1.0 111.168 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.79 -62.19 1.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.921 0.391 . . . . 1.0 110.704 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.2 tt -53.44 -30.61 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.395 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.7 t -75.69 -40.15 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.777 -0.369 . . . . 1.0 111.425 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -59.82 -57.81 11.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.889 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.5 -42.55 99.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.46 -0.336 . . . . 1.0 111.462 -175.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.89 -1.87 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.505 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 58.58 65.73 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.982 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.8 mt -137.57 151.48 48.41 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.015 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 t -76.61 109.64 10.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.214 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -41.82 -52.52 3.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.917 0.389 . . . . 1.0 111.325 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.516 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 36.3 p -42.98 -45.66 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.033 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -71.2 -37.15 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.63 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' GLN . 64.5 t -60.94 -71.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.754 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.2 t -45.25 -37.2 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.814 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' SER . 52.8 m170 -73.7 -24.38 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.566 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 56' ' ' VAL . 66.3 tp60 -70.37 -48.14 57.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.504 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.34 -41.8 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -45.98 -66.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.662 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.6 tp -49.08 -69.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.393 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tp -45.07 -45.97 11.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.413 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -47.0 -54.4 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 1.0 111.161 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 40.7 t -56.52 -17.86 9.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.321 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 4.2 t -81.27 -9.73 12.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.692 -0.231 . . . . 1.0 110.863 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 65' ' ' SER . 1.2 m170 75.0 19.38 2.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.6 -0.273 . . . . 1.0 111.706 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.8 mt -92.39 -2.71 56.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.561 0.219 . . . . 1.0 110.962 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -154.55 149.41 12.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.954 0.407 . . . . 1.0 110.664 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -114.45 -165.26 1.0 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.913 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.91 125.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.998 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -88.02 132.54 34.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.41 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -78.42 118.86 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.854 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -138.2 118.88 14.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.135 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.2 -143.77 15.03 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.618 -0.993 . . . . 1.0 110.618 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.45 ' CD ' ' N ' ' A' ' 76' ' ' GLN . 27.0 mp0 -76.04 -30.62 58.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.665 0.269 . . . . 1.0 110.917 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -88.77 -168.24 2.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.888 0.375 . . . . 1.0 110.899 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -158.19 123.92 4.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.741 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.742 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.6 mp -89.36 117.65 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.132 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -76.27 155.86 33.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.531 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.2 t -170.29 155.35 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.68 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.2 mt -70.53 -149.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.354 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.489 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 4.8 p-10 -171.87 -67.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.471 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.489 ' H ' ' CG ' ' A' ' 83' ' ' ASP . 12.0 m-20 -78.36 108.15 11.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.507 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.6 pt -71.01 8.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.443 ' H ' ' C ' ' A' ' 84' ' ' ASP . 1.2 t-80 -57.92 -64.91 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.674 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 88' ' ' ALA . 27.0 m -64.55 -45.61 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.883 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.505 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -43.63 -48.36 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 1.0 110.936 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.3 p -76.53 -12.79 60.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' VAL . 12.6 tpt -79.54 -33.62 41.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.032 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 91' ' ' LEU . 11.3 mp -70.21 -49.94 45.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 178.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -54.22 -42.94 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.553 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -60.0 -26.61 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.473 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.8 -52.29 15.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.698 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.657 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.5 mp -71.76 -8.75 11.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.9 -55.84 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.497 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -77.19 -0.39 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.488 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.74 55.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.515 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.11 -3.68 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.335 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -50.9 -63.71 1.75 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.461 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -62.8 135.5 52.43 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 121.801 1.667 . . . . 1.0 111.676 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -163.38 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.514 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.206 179.755 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.352 -0.611 . . . . 1.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.3 m -160.42 -39.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.512 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.15 6.39 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.669 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 64.5 m -67.43 -60.54 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.292 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.571 HD23 ' H ' ' B' ' 13' ' ' LEU . 0.5 OUTLIER -92.42 -8.45 44.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.613 0.244 . . . . 1.0 110.825 -179.347 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -58.11 -38.38 76.35 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.666 -0.413 . . . . 1.0 110.285 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -52.35 -58.76 5.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.659 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.4 HG12 ' H ' ' B' ' 16' ' ' VAL . 3.7 p -66.32 -16.01 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.597 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.8 m -79.35 -19.41 50.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 1.0 110.544 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -80.15 -42.56 23.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.094 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 pt -64.63 -35.15 73.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.144 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -65.51 -43.76 89.08 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.197 -0.601 . . . . 1.0 109.516 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -45.38 -45.57 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.766 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.4 -29.69 70.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.747 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.599 HD23 ' N ' ' B' ' 24' ' ' GLY . 1.4 tt -58.07 140.12 53.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.888 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.599 ' N ' HD23 ' B' ' 23' ' ' LEU . . . 156.11 179.88 31.49 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 60.13 85.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.711 0.291 . . . . 1.0 110.81 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -42.02 -28.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.485 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -63.96 -9.17 14.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.722 0.296 . . . . 1.0 111.308 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.633 ' HE ' HD22 ' B' ' 63' ' ' LEU . 72.1 ttt-85 -64.52 -68.74 0.33 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.059 -178.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 79.3 mt -42.65 -50.4 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.103 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -40.08 -69.74 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.444 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 pt -68.9 -39.94 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.19 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.542 ' SD ' ' NH1' ' B' ' 28' ' ' ARG . 8.6 ttt -54.76 -38.85 67.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.781 -0.368 . . . . 1.0 110.589 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -65.46 -64.01 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.706 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.16 -31.99 67.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.805 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.9 tp -69.09 -16.5 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 1.0 110.344 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -70.26 -15.25 62.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.434 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 6.4 m -153.81 64.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.256 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 34.9 p -163.69 -173.43 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.676 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -174.96 117.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.23 -177.71 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.62 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 20.7 m -71.58 172.82 8.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.078 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.5 m -78.7 -31.4 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.663 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.81 -57.67 2.25 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -43.05 -52.01 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 1.0 111.1 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 16.2 tt -51.78 -32.42 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.888 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.6 t -71.49 -70.62 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.086 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -45.05 -48.13 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.914 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -53.4 -59.41 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.111 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.1 mt -74.33 9.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.034 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.504 ' OD1' ' N ' ' B' ' 50' ' ' ASN . 0.8 OUTLIER 61.71 64.87 0.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.695 0.283 . . . . 1.0 111.064 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 30.8 mt -133.76 144.37 49.02 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.904 -0.406 . . . . 1.0 109.904 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.487 ' C ' ' H ' ' B' ' 54' ' ' SER . 32.3 t -79.29 117.21 20.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.589 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -58.57 -0.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.296 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.487 ' H ' ' C ' ' B' ' 52' ' ' SER . 14.0 t -73.2 -44.54 59.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 1.0 110.478 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' B' ' 59' ' ' GLN . 62.6 t30 -85.36 -33.61 21.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.88 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' B' ' 59' ' ' GLN . 94.7 t -42.91 -77.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.115 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.9 t -39.28 -40.4 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.536 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -79.07 -27.24 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.677 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 56' ' ' VAL . 1.6 tm0? -67.59 -50.63 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.696 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.93 -48.14 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 1.0 110.498 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -43.24 -48.29 6.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.784 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.463 ' C ' HD23 ' B' ' 62' ' ' LEU . 1.8 tt -54.99 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.057 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.633 HD22 ' HE ' ' B' ' 28' ' ' ARG . 28.7 mt -42.32 -52.8 4.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -44.35 -64.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.126 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.9 m -50.07 -34.72 22.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.333 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.459 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 26.5 t -77.69 -4.8 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.8 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.459 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 4.3 m80 76.28 19.94 1.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.867 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 43.3 mt -85.41 -19.36 31.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.601 0.238 . . . . 1.0 110.632 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 m -149.47 143.54 18.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.522 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -106.84 -166.06 1.13 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.154 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -166.86 170.03 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.616 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -150.18 139.79 21.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.367 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -83.18 115.64 22.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.63 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' B' ' 76' ' ' GLN . 17.8 tt0 -140.79 139.86 34.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.378 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.88 -79.29 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' B' ' 74' ' ' GLN . 1.6 pm0 -159.4 -41.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.479 ' O ' ' SD ' ' B' ' 78' ' ' MET . 18.8 p -64.69 -167.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.912 177.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.479 ' SD ' ' O ' ' B' ' 77' ' ' SER . 10.9 mmt -139.57 105.02 5.07 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.717 ' N ' HD12 ' B' ' 79' ' ' ILE . 1.6 mp -79.23 112.07 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.222 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -81.17 142.43 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.373 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 15.3 t -164.33 123.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.649 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.506 ' CD2' ' H ' ' B' ' 82' ' ' LEU . 0.7 OUTLIER -74.32 -167.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.611 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -151.43 -31.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.595 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -70.43 82.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.473 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 26.2 pt -75.39 2.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.451 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -79.07 -54.03 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.648 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.406 ' H ' HG22 ' B' ' 87' ' ' VAL . 10.5 m -62.04 -30.11 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.705 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.53 -49.95 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.498 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 49.3 p -67.63 -46.48 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 62.4 mtt -45.61 -31.85 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.626 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' B' ' 94' ' ' ALA . 15.1 tp -78.97 -61.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.184 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -45.83 -34.76 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.591 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -70.78 -30.14 66.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.462 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -70.96 -38.93 72.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.628 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.8 mm -78.27 -9.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.859 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -88.75 -35.57 16.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.737 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -52.53 -33.28 44.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.69 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.2 -13.16 61.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.704 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -52.34 114.23 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.9 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.692 ' H ' ' CD ' ' B' ' 101' ' ' PRO . 11.7 t60 -173.07 -36.32 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.465 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.692 ' CD ' ' H ' ' B' ' 100' ' ' HIS . 24.0 Cg_exo -66.39 33.38 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 121.816 1.677 . . . . 1.0 112.249 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' B' ' 100' ' ' HIS . 54.2 tttp -164.91 91.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 1.0 110.702 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.978 -1.011 . . . . 1.0 110.56 179.75 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.2 m120 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.1 p -75.95 57.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.6 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -161.17 -32.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.367 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.0 m -85.19 -50.55 7.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.166 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 mt -87.53 -7.03 58.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.133 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.67 -38.38 72.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.932 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -76.22 -48.07 21.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.97 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 t -67.83 -22.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 1.0 110.48 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.4 m -75.19 -30.4 60.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.369 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.8 -27.52 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.543 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.5 mt -64.55 -57.41 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.46 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 63.8 m-85 -52.08 -41.54 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.929 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' NZ ' ' CE2' ' B' ' 26' ' ' TYR . 91.9 mttt -81.47 0.51 37.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.976 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -57.33 11.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.346 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -62.34 -167.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.853 -177.54 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -169.86 -108.51 0.21 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.806 -0.917 . . . . 1.0 110.806 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.92 112.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 1.0 110.419 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.46 ' C ' ' H ' ' A' ' 28' ' ' ARG . 14.2 m-85 -39.46 -34.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.773 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.495 ' OD1' ' NE2' ' A' ' 59' ' ' GLN . 15.7 p30 -59.89 -1.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.864 -0.335 . . . . 1.0 110.881 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' CZ ' ' SD ' ' A' ' 32' ' ' MET . 4.3 tmt_? -58.89 -49.46 77.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.344 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.37 -45.05 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.764 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -52.44 -72.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.538 HG23 ' N ' ' A' ' 32' ' ' MET . 21.2 tt -51.85 -43.57 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.952 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.538 ' N ' HG23 ' A' ' 31' ' ' ILE . 28.0 ttt -63.26 -19.55 64.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.853 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -69.19 -70.6 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.084 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -52.76 -30.94 35.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.63 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 35' ' ' LEU . 0.8 OUTLIER -64.85 -28.27 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.576 -0.528 . . . . 1.0 109.576 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -50.98 -16.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.193 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 37' ' ' VAL . 6.4 p -163.91 73.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.625 0.726 . . . . 1.0 110.393 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 m -171.72 165.11 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.511 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -155.08 121.05 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.165 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.96 -177.64 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.701 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 m -80.32 -170.9 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.335 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.27 -44.9 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.48 -26.91 68.75 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.75 -30.72 70.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 1.0 110.375 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.4 mm -61.79 -28.98 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.853 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 50' ' ' ASN . 13.4 t -71.35 -69.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.082 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -54.44 -50.28 68.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.994 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -40.04 -66.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.48 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.61 23.54 12.62 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.583 0.216 . . . . 1.0 111.583 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 46' ' ' SER . 47.9 t-20 57.73 96.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.299 177.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 46' ' ' SER . 58.0 tp -164.38 152.23 12.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.951 177.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 54' ' ' SER . 23.8 p -78.9 107.45 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.653 0.263 . . . . 1.0 110.662 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -62.14 0.65 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.718 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 52' ' ' SER . 10.5 m -73.11 -48.03 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.621 ' ND2' ' N ' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -80.74 -30.47 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.727 -179.731 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.621 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 84.9 t -46.55 -75.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.614 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -43.34 -41.84 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.966 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 58.8 t-80 -70.53 -24.12 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.749 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 56' ' ' VAL . 46.9 tt0 -79.34 -38.55 34.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.392 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.92 -47.76 81.85 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.029 -0.269 . . . . 1.0 111.203 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' CB ' ' NZ ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -44.75 -41.94 7.31 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.924 -0.31 . . . . 1.0 110.603 -178.342 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -59.76 -70.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.051 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.7 mt -41.67 -54.66 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.987 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -51.06 -49.89 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.169 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -57.62 -34.76 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.253 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 66' ' ' VAL . 25.4 t -77.79 -1.5 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.085 -0.246 . . . . 1.0 110.845 -177.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 t60 74.46 22.68 2.08 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.971 0.359 . . . . 1.0 111.971 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.2 mt -94.34 -14.22 25.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.553 0.215 . . . . 1.0 110.864 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.5 t -149.0 139.19 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.932 0.396 . . . . 1.0 110.719 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -110.07 -178.28 3.48 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.205 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.85 172.38 7.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.4 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -155.34 153.75 30.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.816 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -104.4 118.38 36.47 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.9 -0.591 . . . . 1.0 109.888 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -160.81 59.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.422 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.48 72.91 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.072 -1.211 . . . . 1.0 110.072 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 54.17 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 1.0 110.238 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -63.88 161.26 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.945 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -112.33 128.94 56.43 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.985 -0.376 . . . . 1.0 109.985 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.8 mt -86.44 124.19 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.46 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -83.99 150.73 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.693 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.8 t -157.06 148.23 21.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.653 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.94 -156.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.547 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 2.6 p-10 -165.92 -69.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.633 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 22.2 p-10 -70.81 100.18 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.678 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.8 pt -68.68 9.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.669 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' A' ' 84' ' ' ASP . 60.0 t60 -76.04 -26.93 57.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.725 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -78.74 -32.72 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.729 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.67 -53.51 18.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.773 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.587 HG23 ' N ' ' A' ' 90' ' ' MET . 6.3 t -71.98 -51.21 23.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.702 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.587 ' N ' HG23 ' A' ' 89' ' ' THR . 28.3 ttt -39.14 -41.92 0.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.633 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.77 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 1.0 110.481 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 44.6 tttp -49.47 -38.11 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.255 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -75.65 -42.19 52.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 1.0 111.268 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.77 -34.51 71.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.24 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.3 tt -80.77 -10.06 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.939 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 92' ' ' LYS . 28.7 m170 -74.69 -60.06 2.45 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.676 -0.49 . . . . 1.0 109.676 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' ASN . 65.5 t-80 -79.41 -48.33 14.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.494 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.73 -72.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.792 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' HIS . 43.9 p-10 -173.89 -141.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.884 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.533 ' N ' ' ND1' ' A' ' 100' ' ' HIS . 0.6 OUTLIER -86.07 136.93 35.53 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 109.912 -0.403 . . . . 1.0 109.912 178.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -81.09 132.74 8.53 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.657 1.571 . . . . 1.0 112.11 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -80.59 132.11 35.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.377 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.973 -1.013 . . . . 1.0 110.561 -179.582 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.874 ' N ' HD21 ' B' ' 9' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 41.2 p -138.98 154.29 48.26 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.531 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -155.04 -40.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.738 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.0 m -66.62 -59.85 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.306 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.54 -30.64 71.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.345 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -58.01 -25.95 61.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.611 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -60.74 -66.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.424 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.405 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 12.1 m -57.91 -14.07 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.607 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -82.24 -18.09 43.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.461 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -77.48 -36.49 52.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.842 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.2 pt -69.16 -37.5 76.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.237 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 59.9 m-85 -71.39 -39.7 71.0 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.243 -0.583 . . . . 1.0 110.36 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -69.0 -8.14 42.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.664 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.77 -51.82 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.958 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.98 156.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.958 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' B' ' 25' ' ' ASP . . . -169.82 163.51 36.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.628 -0.989 . . . . 1.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 24' ' ' GLY . 42.4 m-20 48.81 -179.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 1.0 110.564 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 7.0 m-85 -99.69 -53.22 3.25 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.725 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.516 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 3.3 t30 -69.91 2.62 3.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.615 -176.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -60.26 -49.72 76.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.754 -0.378 . . . . 1.0 110.988 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.536 HG23 ' N ' ' B' ' 30' ' ' ARG . 19.9 tt -67.56 -43.51 87.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.983 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.536 ' N ' HG23 ' B' ' 29' ' ' ILE . 82.9 mtp180 -46.1 -32.09 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.805 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.414 ' CD1' ' OE1' ' B' ' 59' ' ' GLN . 96.0 mt -63.23 -61.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 1.0 110.487 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 49.0 mtt -49.61 -29.53 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.851 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.9 -30.44 58.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.857 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -76.24 -40.41 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.62 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 mt -72.22 -20.53 61.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.553 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.449 ' O ' HG13 ' B' ' 37' ' ' VAL . 20.3 t -60.57 -19.99 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.395 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.449 HG13 ' O ' ' B' ' 36' ' ' SER . 13.3 m -157.15 58.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.259 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 5.1 m -167.23 171.75 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.604 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -156.08 122.07 5.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.171 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.07 179.11 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.668 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.9 t -77.93 -179.62 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.318 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.403 HG23 ' N ' ' B' ' 43' ' ' GLY . 14.4 m -79.13 -35.49 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.6 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.403 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -79.01 -46.76 8.08 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -47.09 -69.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 1.0 110.523 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 13.3 tt -44.72 -36.09 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -71.46 -48.36 49.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.071 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.411 ' C ' ' ND1' ' B' ' 47' ' ' HIS . 18.3 t-80 -74.57 -50.73 16.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.804 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -54.71 -49.81 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.098 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 tp -74.77 10.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.012 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 61.74 52.39 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.553 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -124.16 148.42 47.24 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 176.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.485 ' C ' ' H ' ' B' ' 54' ' ' SER . 14.9 t -77.32 118.06 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.313 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -54.98 -4.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.357 . . . . 1.0 111.255 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.485 ' H ' ' C ' ' B' ' 52' ' ' SER . 12.3 t -83.69 -11.59 57.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.34 . . . . 1.0 110.589 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -102.38 -50.27 3.65 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.108 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.768 HG13 ' H ' ' B' ' 57' ' ' SER . 8.8 p -49.48 -64.93 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.958 -176.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.768 ' H ' HG13 ' B' ' 56' ' ' VAL . 79.6 p -42.28 -51.2 4.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 1.0 111.1 -178.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' B' ' 58' ' ' HIS . 22.6 t-80 -66.97 -25.93 66.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.603 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' B' ' 56' ' ' VAL . 42.1 tt0 -69.67 -55.68 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.166 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 44.2 mt -51.36 -41.86 60.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 1.0 110.92 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -43.11 -59.13 2.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.066 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.486 ' C ' HD23 ' B' ' 62' ' ' LEU . 3.6 tt -59.94 -72.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.488 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.55 ' CD1' ' H ' ' B' ' 63' ' ' LEU . 10.1 mp -37.94 -56.28 1.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.362 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -44.98 -36.47 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.087 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 25.8 p -75.58 -25.87 57.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.066 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.425 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 3.9 t -77.91 -7.51 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.936 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.425 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 4.3 m80 73.45 19.71 3.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.566 0.222 . . . . 1.0 111.483 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 35.1 mt -92.98 -11.11 34.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.648 -0.251 . . . . 1.0 110.756 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 23.3 m -149.48 143.92 18.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.891 0.377 . . . . 1.0 110.74 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -121.3 -163.74 1.07 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.101 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.03 177.76 4.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 1.0 111.094 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -154.93 149.15 26.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.349 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -79.21 110.53 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.815 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' B' ' 75' ' ' GLY . 0.5 OUTLIER -122.34 89.64 3.15 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.157 -0.474 . . . . 1.0 109.956 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 52.72 109.5 0.01 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.467 ' CD ' ' N ' ' B' ' 77' ' ' SER . 3.7 tm0? 53.38 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 1.0 110.976 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 75' ' ' GLY . 97.1 p -66.65 -168.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.777 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.3 mtt -146.97 119.96 8.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.068 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 91.2 mt -82.25 120.09 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.786 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -82.11 151.64 26.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.424 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.7 p -170.21 159.1 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tp -65.45 -157.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -173.93 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 1.0 110.797 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.23 110.19 13.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.937 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.46 -24.47 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.529 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -61.07 -63.66 1.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.607 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 90.1 t -54.15 -52.15 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.483 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.39 -49.82 6.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.935 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.9 m -70.79 -31.31 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.877 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.1 tpt -51.96 -32.78 34.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.765 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 91' ' ' LEU . 10.3 mp -76.79 -50.6 13.13 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' B' ' 96' ' ' HIS . 31.5 mmtm -44.83 -45.47 10.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.633 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.75 -28.81 67.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 -53.93 16.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.127 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.654 ' N ' HD12 ' B' ' 95' ' ' ILE . 1.6 mp -69.05 -7.27 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' B' ' 92' ' ' LYS . 1.8 m-70 -84.96 -33.97 22.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.332 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.469 ' C ' ' H ' ' B' ' 99' ' ' ASN . 76.9 t60 -45.38 -26.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.736 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.57 39.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.424 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.469 ' H ' ' C ' ' B' ' 97' ' ' HIS . 31.9 m120 -50.26 -91.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.853 -179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -51.54 139.26 28.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.102 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.89 129.9 9.26 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 121.612 1.541 . . . . 1.0 112.005 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 52.7 mttm 44.95 -117.71 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.706 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.371 -179.458 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.471 ' C ' ' H ' ' A' ' 11' ' ' ASP . 29.4 t30 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 10' ' ' THR . 1.4 t -72.75 20.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.931 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 9' ' ' ASN . 62.0 t0 -172.49 -39.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.65 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.422 ' HG1' ' N ' ' A' ' 9' ' ' ASN . 30.5 p -65.68 -58.84 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.692 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tp -65.11 -36.13 83.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.534 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -55.58 -35.87 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.979 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -72.87 -43.82 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.402 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.6 -23.7 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.717 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 p -82.3 -21.06 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.309 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.23 -22.25 48.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.51 -68.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.656 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -53.26 -36.93 61.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.869 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -70.86 -19.5 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.631 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.9 25.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.405 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 23' ' ' LEU . 9.9 mp -63.38 175.02 1.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.107 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.73 -117.27 0.69 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.09 149.7 49.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.734 0.302 . . . . 1.0 110.672 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -51.2 -20.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.862 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 1.4 m120 -78.43 -19.61 52.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.994 -178.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.432 ' O ' HG22 ' A' ' 31' ' ' ILE . 24.9 mmt180 -58.14 -71.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.027 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.522 HG23 ' N ' ' A' ' 30' ' ' ARG . 19.2 tt -39.54 -43.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.87 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' N ' HG23 ' A' ' 29' ' ' ILE . 94.4 mtt-85 -46.91 -14.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 1.0 111.092 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' ILE . 4.1 tp -71.96 -36.69 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 1.0 110.456 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 43.4 ttm -74.74 -39.51 61.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.868 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -51.27 -48.7 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.994 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -78.64 -40.81 33.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.786 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.9 tp -66.79 -26.08 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.659 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.9 p -70.01 -17.76 63.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.704 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.413 ' O ' ' OG ' ' A' ' 38' ' ' SER . 63.4 t -84.83 -46.6 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.881 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 12.9 m -167.4 -147.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.821 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -138.67 159.53 41.87 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.227 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.92 -179.56 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.733 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.6 t -73.02 171.9 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.576 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -69.4 -45.41 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.856 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.19 -47.88 42.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -45.08 -27.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 1.0 110.684 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.3 mt -81.88 -38.43 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 t -70.76 -55.58 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.176 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -61.07 -53.51 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.48 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' A' ' 50' ' ' ASN . 51.3 tt0 -67.71 -68.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.294 -177.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -55.07 -6.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.299 -177.689 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.474 ' H ' ' C ' ' A' ' 48' ' ' GLN . 19.7 t30 61.54 66.56 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.792 0.329 . . . . 1.0 110.926 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.0 mt -139.35 151.67 46.55 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.841 -0.429 . . . . 1.0 109.841 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 54' ' ' SER . 58.8 m -77.81 114.11 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.638 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.7 pm0 -55.89 -5.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.904 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 52' ' ' SER . 74.1 m -76.97 -38.43 53.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.242 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' GLN . 2.1 m-20 -82.54 -33.55 28.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.486 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 59' ' ' GLN . 99.5 t -46.71 -69.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.631 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -42.61 -39.93 2.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.073 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -75.43 -31.6 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.156 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 56' ' ' VAL . 8.9 tt0 -63.26 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.561 . . . . 1.0 111.005 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 13.3 mt -50.18 -45.05 53.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.886 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -46.68 -64.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.336 . . . . 1.0 110.669 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 tp -40.98 -69.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.088 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.5 mp -46.77 -44.74 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.448 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' CB ' ' NZ ' ' A' ' 64' ' ' LYS . 2.6 ttmp? -63.29 -41.31 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.68 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 p -67.75 -21.89 65.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.422 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.512 ' O ' HG12 ' A' ' 66' ' ' VAL . 71.8 t -81.0 -4.74 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.461 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 t60 74.23 16.25 3.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.49 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.457 HD23 ' C ' ' A' ' 68' ' ' LEU . 1.8 tt -82.99 -77.27 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.119 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.63 162.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.88 0.372 . . . . 1.0 110.79 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -133.41 177.57 7.58 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.823 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -160.93 121.37 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.968 0.413 . . . . 1.0 111.146 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -87.23 156.73 19.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.194 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -118.79 118.67 32.22 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.276 -0.42 . . . . 1.0 109.947 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -161.08 73.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.076 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 125.0 87.14 0.7 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 178.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.448 ' CD ' ' N ' ' A' ' 76' ' ' GLN . 26.7 mp0 50.56 -88.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 1.0 110.817 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' GLY . 66.9 m -70.91 -167.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.569 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.7 mtt -129.86 176.47 8.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mt -142.91 105.07 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.933 0.397 . . . . 1.0 110.531 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -67.45 146.09 54.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.652 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -160.73 147.09 15.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.005 0.431 . . . . 1.0 111.234 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -89.62 95.82 10.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.67 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.37 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.869 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -42.87 100.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.129 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 85' ' ' ILE . 20.1 pt -77.46 0.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.664 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -73.29 -38.31 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.698 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.2 t -71.51 -34.65 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.686 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.84 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.632 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -80.54 -59.36 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.801 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 26.2 ttt -45.21 -36.96 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.245 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.9 tp -74.76 -32.67 62.13 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.525 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -66.28 -60.21 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -51.26 -28.01 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.777 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.36 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.573 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 95' ' ' ILE . 73.7 mt -79.6 -7.21 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.507 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.481 ' C ' ' H ' ' A' ' 98' ' ' ALA . 36.1 t-80 -77.95 -38.94 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.675 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -70.08 10.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.6 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.481 ' H ' ' C ' ' A' ' 96' ' ' HIS . . . -80.95 46.44 0.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.685 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -76.44 -165.27 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.742 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.432 ' CG ' ' O ' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -170.06 60.75 0.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.607 -179.433 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.94 -168.67 0.61 Allowed 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.717 2.278 . . . . 1.0 112.054 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 102' ' ' LYS . 2.4 mptp? -62.07 103.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.2 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.039 -0.981 . . . . 1.0 110.558 -179.753 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 m120 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.349 -0.612 . . . . 1.0 109.349 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.9 p -61.18 -145.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.632 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -164.88 -28.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.705 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 66.7 p -70.14 -61.05 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.842 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.435 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -47.9 -55.3 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.404 -178.72 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -51.7 -38.93 57.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.874 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -59.38 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.498 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.72 -22.32 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.493 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.7 m -74.55 -20.42 59.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.285 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -77.47 -35.03 54.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.426 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 33.3 mt -59.01 -63.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.342 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -52.9 -42.55 65.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.616 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.19 -40.97 91.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.004 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.533 ' C ' ' H ' ' B' ' 24' ' ' GLY . . . -42.35 -44.78 4.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.667 0.27 . . . . 1.0 111.106 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.567 ' N ' HD12 ' B' ' 23' ' ' LEU . 8.7 mp -66.76 27.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.645 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' B' ' 22' ' ' ALA . . . -47.33 -49.28 20.02 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.821 -0.911 . . . . 1.0 110.821 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.415 ' OD2' ' OE1' ' B' ' 59' ' ' GLN . 1.0 OUTLIER -76.36 166.49 23.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 1.0 110.457 179.782 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.424 ' C ' ' H ' ' B' ' 28' ' ' ARG . 88.8 m-85 -100.07 -53.97 3.01 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.546 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -64.79 3.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.473 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.519 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 29.2 ttm180 -58.96 -44.43 91.48 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.688 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 74.0 mt -65.65 -48.92 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.768 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -46.24 -48.04 17.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.602 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 71.4 mt -76.68 -58.18 4.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.792 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' B' ' 32' ' ' MET . 1.7 tmt? -45.55 -35.17 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.763 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.35 -67.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.848 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.521 HD23 ' O ' ' B' ' 34' ' ' LEU . 0.8 OUTLIER -53.16 -32.91 50.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.145 0.497 . . . . 1.0 110.276 -178.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.8 OUTLIER -70.71 -44.85 66.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.401 -179.381 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -40.45 -21.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.727 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.2 p -158.43 72.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.789 0.804 . . . . 1.0 110.667 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' B' ' 39' ' ' GLU . 27.6 t -172.25 -160.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.557 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.401 ' N ' ' OG ' ' B' ' 38' ' ' SER . 6.2 pt-20 -175.66 129.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.486 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.08 166.73 25.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.633 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.406 ' H ' ' HB2' ' B' ' 44' ' ' HIS . 50.4 m -83.5 -178.81 7.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.678 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.6 -49.9 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.096 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.0 -34.79 26.03 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.406 ' HB2' ' H ' ' B' ' 41' ' ' SER . 39.5 m170 -55.34 -57.18 12.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.725 0.298 . . . . 1.0 110.932 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 tt -57.18 -32.47 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.936 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 54.1 p -72.09 -67.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.288 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.521 ' N ' ' OG ' ' B' ' 46' ' ' SER . 23.6 t60 -55.8 -53.6 54.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.432 -177.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.471 ' C ' ' H ' ' B' ' 50' ' ' ASN . 30.5 tt0 -52.85 -61.11 2.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.167 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.482 HD23 ' O ' ' B' ' 49' ' ' LEU . 0.9 OUTLIER -66.52 7.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.422 -177.711 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.471 ' H ' ' C ' ' B' ' 48' ' ' GLN . 13.6 m-20 58.25 74.23 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.788 -0.365 . . . . 1.0 110.693 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tp -152.33 155.95 38.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.113 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.4 p -79.36 115.26 18.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.559 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.19 2.28 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.013 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 77.5 p -73.36 -38.28 65.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.31 -0.404 . . . . 1.0 111.082 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -105.14 -5.76 20.48 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.541 -0.3 . . . . 1.0 111.673 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.616 HG13 ' N ' ' B' ' 57' ' ' SER . 8.6 p -60.71 -56.55 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.962 -177.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.616 ' N ' HG13 ' B' ' 56' ' ' VAL . 11.2 t -49.76 -52.76 29.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.721 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -56.65 -29.67 62.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.654 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.415 ' OE1' ' OD2' ' B' ' 25' ' ' ASP . 8.4 tp-100 -70.78 -50.78 32.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.123 -178.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 mt -59.38 -48.2 82.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.983 -0.287 . . . . 1.0 111.009 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -45.36 -42.94 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.885 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 tp -56.19 -62.45 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.201 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.547 ' N ' HD12 ' B' ' 63' ' ' LEU . 10.5 mp -47.62 -48.51 28.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.199 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -49.31 -29.56 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.254 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -80.81 -45.49 16.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.422 ' H ' HG23 ' B' ' 66' ' ' VAL . 9.2 t -56.39 -13.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.439 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.466 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 15.6 t-80 78.94 18.55 0.86 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.143 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 30.6 mt -87.97 -73.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.773 0.32 . . . . 1.0 110.384 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -82.08 132.81 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.9 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -103.81 135.82 44.64 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.456 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.49 164.84 13.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.895 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -145.36 125.59 13.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.868 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.12 106.62 18.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.67 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.417 ' OE1' HD12 ' B' ' 79' ' ' ILE . 12.1 pt20 -138.34 136.39 36.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.101 -0.499 . . . . 1.0 109.907 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.56 -157.46 1.53 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.488 -1.045 . . . . 1.0 110.488 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -64.15 -55.47 21.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.811 0.338 . . . . 1.0 110.54 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.436 ' C ' ' SD ' ' B' ' 78' ' ' MET . 22.7 t -72.29 -167.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.593 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.586 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -152.05 125.15 8.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 1.0 109.859 179.252 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.417 HD12 ' OE1' ' B' ' 74' ' ' GLN . 17.7 mt -98.33 129.03 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.0 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.41 146.52 23.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.369 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 38.9 p -155.16 132.44 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.821 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.82 124.29 33.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.174 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.406 ' O ' HD12 ' B' ' 85' ' ' ILE . 1.4 m-20 -79.66 -27.34 40.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.922 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.48 78.44 9.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.875 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.682 ' N ' HD12 ' B' ' 85' ' ' ILE . 2.1 mp -62.45 -26.61 40.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 1.0 109.913 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -46.92 -46.42 21.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.851 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.09 -39.06 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.808 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.16 91.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.744 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 45.7 p -74.63 -48.52 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.84 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 24.5 ttt -54.44 -28.92 47.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.389 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 31.0 tp -73.64 -37.74 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.374 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -61.96 -49.43 76.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.672 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -57.52 -31.69 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.881 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.64 66.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.674 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.425 ' O ' HG22 ' B' ' 95' ' ' ILE . 73.4 mt -79.29 -11.67 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.666 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -73.66 -33.37 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.676 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -45.72 -36.14 4.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.728 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.06 77.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.663 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -87.62 74.59 9.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.565 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.413 ' N ' ' CD ' ' B' ' 101' ' ' PRO . 48.3 t60 -166.22 55.28 0.35 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.788 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' B' ' 100' ' ' HIS . 62.8 Cg_endo -70.85 -90.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.668 2.245 . . . . 1.0 111.95 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp 59.76 113.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.616 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.995 -1.002 . . . . 1.0 110.536 179.861 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.417 ' ND2' ' N ' ' A' ' 9' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.3 m 46.82 -126.0 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.276 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -155.65 -35.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.87 0.367 . . . . 1.0 110.167 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -67.61 -58.51 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.4 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -49.58 -48.41 48.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.802 179.123 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' THR . 31.1 tt0 -45.15 -45.14 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.936 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -48.95 -21.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.034 0.445 . . . . 1.0 110.744 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.5 t -89.64 -23.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.483 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' GLU . 8.6 m -78.26 -17.36 56.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.105 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.78 -44.46 8.5 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.702 -0.227 . . . . 1.0 111.205 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 20' ' ' PHE . 17.6 tt -57.59 -38.28 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.858 -0.337 . . . . 1.0 111.079 -177.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.416 ' N ' HG23 ' A' ' 19' ' ' ILE . 31.3 m-85 -79.85 -38.48 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.152 -0.314 . . . . 1.0 110.152 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -67.52 -21.54 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 1.0 110.512 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.74 -51.04 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.664 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.5 mt -56.97 167.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.479 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.03 -8.68 0.06 OUTLIER Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.103 -0.799 . . . . 1.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -69.3 115.97 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 1.0 110.771 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.716 ' H ' HH21 ' A' ' 28' ' ' ARG . 45.6 t80 -88.53 -73.42 0.5 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.543 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -104.38 1.21 29.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.188 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.716 HH21 ' H ' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -80.87 -6.52 58.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.897 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.23 -44.78 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.08 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -40.33 -44.09 1.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.161 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.49 -51.68 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.398 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 ttt -53.51 -33.7 55.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.499 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.89 -51.88 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.417 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.31 -37.27 86.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -63.02 -36.15 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 1.0 109.778 179.68 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -66.84 -21.33 66.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.055 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -77.28 -36.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.957 -0.297 . . . . 1.0 110.949 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -171.27 -141.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.932 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -139.51 153.78 47.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.375 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.16 -177.41 5.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.504 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.42 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 6.4 p -71.98 173.95 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.095 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 43' ' ' GLY . 19.4 m -81.65 -38.52 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.184 -178.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -81.07 -49.94 5.37 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.534 -0.626 . . . . 1.0 111.534 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.42 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -43.79 -37.32 2.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.692 0.282 . . . . 1.0 111.184 -178.344 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.41 -27.18 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.077 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 43' ' ' GLY . 48.4 t -73.94 -61.81 1.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.294 -177.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -61.67 -53.01 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.24 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -53.28 -46.19 69.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.91 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 tp -80.02 7.38 9.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.645 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.4 t30 58.68 58.33 3.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.762 0.315 . . . . 1.0 110.768 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -141.24 158.62 43.65 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.209 -0.45 . . . . 1.0 109.932 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 54' ' ' SER . 55.3 p -80.19 118.02 21.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.627 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -64.17 1.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.981 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.488 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 5.0 m -85.59 -22.1 28.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.619 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 1.2 m-20 -90.82 -42.77 10.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.262 -178.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.679 HG23 ' H ' ' A' ' 57' ' ' SER . 31.3 m -50.85 -61.02 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.979 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.679 ' H ' HG23 ' A' ' 56' ' ' VAL . 54.9 p -41.88 -53.23 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.699 0.285 . . . . 1.0 111.281 -178.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 54' ' ' SER . 21.5 m80 -67.45 -28.33 67.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.635 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -67.02 -53.73 28.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.892 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.3 mt -50.01 -38.34 37.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.442 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -45.42 -50.37 12.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.602 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.05 -70.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.391 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.9 mp -41.78 -62.1 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.964 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -48.3 -47.65 36.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.998 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 t -65.1 -36.94 85.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.236 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 66' ' ' VAL . 61.5 t -77.44 -2.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.893 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.475 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 3.7 m80 77.85 22.55 0.85 Allowed 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.013 0.375 . . . . 1.0 112.013 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.1 mt -87.92 -15.29 37.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.571 0.224 . . . . 1.0 110.807 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.2 t -144.82 135.02 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.828 0.347 . . . . 1.0 110.591 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -107.98 129.1 55.14 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.372 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 -179.62 6.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.583 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -155.16 137.09 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.519 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -71.91 103.39 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.874 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -136.12 93.62 2.94 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.24 -151.56 42.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.549 ' H ' ' CD ' ' A' ' 76' ' ' GLN . 1.7 mp0 -62.29 -59.33 5.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 1.0 110.832 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.8 m -78.5 -167.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.564 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mmt -132.44 119.49 20.69 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 96.9 mt -79.1 119.86 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 1.0 110.509 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -82.3 129.3 34.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.79 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -145.16 145.5 31.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.483 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -82.41 -176.81 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.521 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -159.25 -45.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.45 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -74.55 88.21 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.637 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.5 mm -63.27 -17.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.576 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.432 ' N ' ' ND1' ' A' ' 86' ' ' HIS . 3.1 m80 -57.87 -52.24 66.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.72 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.87 -36.79 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.653 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.64 -34.51 72.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.615 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.7 m -74.3 -46.06 43.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.774 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 mmt -55.42 -28.84 56.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.936 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' ' 91' ' ' LEU . 2.2 tt -69.55 -61.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 1.0 110.224 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -46.17 -49.4 16.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.667 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -47.58 -34.29 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.502 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -68.92 -45.22 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.634 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 95' ' ' ILE . 86.3 mt -79.76 -7.41 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.6 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.406 ' C ' ' N ' ' A' ' 98' ' ' ALA . 84.6 t60 -75.07 -53.02 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.67 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' ASN . 58.2 t-80 -46.97 -20.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.7 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 96' ' ' HIS . . . -45.64 -18.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.652 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' HIS . 4.9 m120 -83.33 125.43 31.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.475 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -77.89 151.3 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.263 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -70.9 -90.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 121.818 1.679 . . . . 1.0 111.894 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -155.74 -67.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.508 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.617 ' H ' ' CD ' ' A' ' 103' ' ' GLU . 1.4 pm0 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.517 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' B' ' 11' ' ' ASP . 8.9 t -159.72 -153.18 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.458 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.433 ' N ' ' OG1' ' B' ' 10' ' ' THR . 23.6 t70 -166.3 -35.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.626 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -61.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.013 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' B' ' 15' ' ' ARG . 11.1 tp -51.32 -54.95 21.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.172 -177.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -50.84 -11.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.871 -0.332 . . . . 1.0 111.05 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' B' ' 13' ' ' LEU . 56.6 ttm-85 -67.64 -57.74 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.793 -0.363 . . . . 1.0 110.403 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.512 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 12.6 m -64.96 -15.28 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.562 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.416 ' CG2' ' CE1' ' A' ' 26' ' ' TYR . 89.6 m -74.92 -26.25 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.332 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -78.66 -37.02 42.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.734 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 98.9 mt -56.46 -67.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.652 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.512 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 9.8 m-85 -50.29 -37.81 38.11 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.534 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -65.54 -36.56 84.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.756 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.58 -47.73 49.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.387 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.24 162.64 5.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.369 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.19 -23.08 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' B' ' 25' ' ' ASP . 15.7 p-10 -72.66 138.11 46.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 1.0 110.71 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -98.91 -73.34 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.082 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -104.27 -4.27 23.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.085 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.495 ' N ' ' CD ' ' B' ' 28' ' ' ARG . 10.7 mpt_? -78.83 -8.44 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.284 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' B' ' 31' ' ' ILE . 17.1 tt -71.88 -29.59 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.415 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -40.57 -21.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.336 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' B' ' 29' ' ' ILE . 9.7 pt -70.24 -40.6 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.889 -0.324 . . . . 1.0 110.424 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.451 ' N ' ' O ' ' B' ' 29' ' ' ILE . 71.4 mmm -62.71 -26.24 68.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.49 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -68.43 -68.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.013 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -50.83 -31.05 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.749 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.515 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -63.55 -32.01 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.107 0.479 . . . . 1.0 109.823 -179.568 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -49.76 -13.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.458 HG22 ' O ' ' B' ' 37' ' ' VAL . 1.7 p -172.11 86.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.38 0.609 . . . . 1.0 110.806 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' B' ' 37' ' ' VAL . 1.8 m 163.86 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.532 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -171.93 134.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -159.32 -178.36 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.665 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 45.0 m -79.13 -179.04 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.633 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.7 p -78.77 -35.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.494 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.63 -54.98 2.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -44.86 -57.55 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.334 . . . . 1.0 110.817 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 tt -48.19 -28.65 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.788 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.9 t -77.41 -59.11 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.957 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -53.31 -50.45 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.043 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -53.14 -53.27 52.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.916 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 39.1 mt -79.34 9.48 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.295 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 56.8 64.77 1.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.761 0.315 . . . . 1.0 111.044 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.8 mt -141.61 156.14 45.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.139 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 37.9 m -81.51 123.56 28.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.654 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -48.19 -54.64 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.929 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.441 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 45.5 t -52.89 -34.93 57.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.203 -178.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -73.29 -65.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.092 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.608 HG13 ' H ' ' B' ' 57' ' ' SER . 6.3 p -50.82 -58.33 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.726 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.608 ' H ' HG13 ' B' ' 56' ' ' VAL . 28.6 t -41.76 -49.91 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 1.0 111.257 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' B' ' 54' ' ' SER . 1.9 m80 -65.62 -22.79 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.652 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' B' ' 56' ' ' VAL . 36.0 tt0 -74.26 -43.01 58.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.885 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.9 mt -55.47 -38.51 69.18 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.536 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -46.65 -52.75 13.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.423 HD23 ' O ' ' B' ' 62' ' ' LEU . 1.2 tt -54.45 -62.83 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.376 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.529 HD22 ' N ' ' B' ' 63' ' ' LEU . 4.0 mm? -47.3 -54.61 10.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.511 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -65.1 -37.28 86.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.281 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.4 p -72.85 8.37 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.23 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.505 ' O ' HG12 ' B' ' 66' ' ' VAL . 82.2 t -124.88 -3.3 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.712 -0.222 . . . . 1.0 110.533 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' B' ' 66' ' ' VAL . 0.9 OUTLIER 85.77 19.62 0.1 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.348 176.731 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.419 HD12 HD13 ' B' ' 63' ' ' LEU . 35.3 mt -91.16 -13.49 32.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.626 0.25 . . . . 1.0 110.536 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 85.2 t -147.57 143.42 19.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.84 0.352 . . . . 1.0 110.601 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -124.19 111.06 15.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.157 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.81 155.24 19.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.078 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -141.69 163.38 33.06 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.913 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -139.02 127.55 23.08 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.059 0.457 . . . . 1.0 110.538 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -160.24 67.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.096 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.34 -61.72 0.41 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.578 -1.009 . . . . 1.0 110.578 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -164.42 -88.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 84.9 p -62.37 179.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.98 -0.378 . . . . 1.0 109.98 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.6 mpt? -111.08 111.3 22.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.805 0.336 . . . . 1.0 110.369 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 mm -82.86 103.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.737 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -68.9 146.9 52.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.598 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -153.95 138.82 17.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.704 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.57 HD22 ' N ' ' B' ' 82' ' ' LEU . 2.9 mm? -81.06 94.44 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.179 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -71.98 -36.67 69.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.365 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.82 95.44 8.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.515 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.1 -16.45 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.777 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -56.13 -57.37 12.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.695 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.56 -40.69 87.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.859 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.41 83.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.671 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.7 m -74.74 -35.11 62.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 5.8 tpt -63.02 -27.31 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.613 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.7 tp -70.97 -49.9 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.433 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -59.54 -38.59 81.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.507 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.16 -32.67 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.715 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.3 -54.83 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.732 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.471 HG22 ' O ' ' B' ' 95' ' ' ILE . 92.8 mt -70.1 -7.53 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.591 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -75.33 -67.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.602 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -87.61 -33.64 18.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.331 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 54.85 -92.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.682 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -162.46 65.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -168.68 66.26 0.66 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.828 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -45.27 162.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.649 2.233 . . . . 1.0 112.2 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -77.06 -151.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.641 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.565 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.562 ' N ' HD21 ' A' ' 9' ' ' ASN . 1.1 m-80 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.0 m -127.1 -76.48 0.57 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.157 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -172.31 -58.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.75 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 13' ' ' LEU . 8.8 t -72.82 -45.68 57.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.027 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.556 ' N ' HG23 ' A' ' 12' ' ' THR . 10.7 tp -44.68 -56.02 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 1.0 110.871 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -48.82 -54.12 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.812 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -56.71 -37.31 70.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.799 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.9 t -68.76 -25.92 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.995 0.426 . . . . 1.0 110.408 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.9 m -72.77 -18.52 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.368 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -78.84 -37.88 39.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.473 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 73.6 mt -56.5 -62.07 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -56.21 -44.02 79.09 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -66.0 -15.22 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.777 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -70.54 -50.83 33.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 1.0 110.465 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' B' ' 20' ' ' PHE . 13.7 mt -44.0 145.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.87 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -158.01 125.67 1.58 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.516 -1.034 . . . . 1.0 110.516 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' GLY . 60.3 m-20 56.98 114.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 1.0 110.653 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -71.59 -13.92 61.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.745 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -76.56 -15.49 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.9 ttt-85 -76.69 -33.3 58.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.051 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -46.26 -51.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.713 0.292 . . . . 1.0 110.497 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -45.49 -37.46 5.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.922 0.392 . . . . 1.0 110.464 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' LEU . 20.8 mt -74.94 -60.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.377 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 ttm -41.17 -41.26 1.76 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.53 -38.43 89.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.274 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.1 tp -65.31 -37.48 87.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 37' ' ' VAL . 13.4 mt -66.28 -30.2 70.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.479 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -46.73 -21.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.469 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.45 HG13 ' O ' ' A' ' 37' ' ' VAL . 3.4 p -177.06 88.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.088 178.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' GLU . 89.2 p -170.18 -64.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.986 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 38' ' ' SER . 57.4 mt-10 59.37 116.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.386 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.86 -177.38 6.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.673 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 25.9 t -70.96 171.87 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.446 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 t -79.85 -37.16 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.966 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.19 -64.42 1.65 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.269 -0.732 . . . . 1.0 111.269 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -43.09 -55.3 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 1.0 111.151 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 41' ' ' SER . 18.9 tt -45.83 -27.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.774 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.3 p -83.94 -38.58 20.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.109 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.1 -53.12 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.959 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.44 -39.93 92.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.827 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.0 tp -75.66 -9.07 58.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.183 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m120 68.84 64.6 0.3 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.507 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.2 mt -143.12 158.28 43.75 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.828 -0.434 . . . . 1.0 109.828 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 54' ' ' SER . 92.1 p -79.52 114.48 18.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.564 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -58.85 -3.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.689 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 52' ' ' SER . 11.9 t -77.29 -42.51 36.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.517 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -77.48 -37.54 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.492 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.6 t -44.26 -69.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.7 p -45.75 -34.62 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.958 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -78.57 -31.21 47.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.993 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.28 -57.48 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.745 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.21 -39.72 66.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.809 0.338 . . . . 1.0 110.599 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -42.59 -62.14 1.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.073 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 tp -44.93 -57.17 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.731 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.6 mp -52.84 -49.28 66.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.431 -177.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -43.72 -36.45 2.23 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.93 -0.308 . . . . 1.0 111.11 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p -83.5 -17.91 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.131 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 90.7 t -76.31 -16.69 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.504 -0.316 . . . . 1.0 111.067 -178.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.468 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 4.1 m80 75.73 18.61 2.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.76 0.314 . . . . 1.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' ' 68' ' ' LEU . 3.4 tt -87.28 -73.34 0.48 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.445 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.9 m -78.78 152.13 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.226 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -130.72 122.58 27.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.938 -0.574 . . . . 1.0 109.889 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.76 171.19 10.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.023 0.439 . . . . 1.0 111.221 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -139.99 138.56 35.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.918 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.96 116.1 12.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.947 0.403 . . . . 1.0 110.488 -178.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -160.16 73.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.38 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.87 -66.72 0.35 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.459 -1.056 . . . . 1.0 110.459 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -169.56 -66.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 1.0 110.543 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 78' ' ' MET . 47.6 t -63.03 -167.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.485 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.443 ' N ' ' OG ' ' A' ' 77' ' ' SER . 27.4 mtp -141.6 98.09 3.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.318 -0.401 . . . . 1.0 109.945 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.734 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.9 mp -84.66 101.01 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.552 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -66.18 156.0 35.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.343 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -163.81 135.78 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.005 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.602 ' N ' HD12 ' A' ' 82' ' ' LEU . 8.1 mp -86.72 82.11 7.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.968 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.32 -17.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.713 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 82' ' ' LEU . 33.5 m-20 -88.71 149.38 23.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.563 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.6 pt -109.97 -27.51 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.579 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -53.69 -51.99 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.876 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 t -44.71 -45.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.871 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.6 -41.18 69.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.69 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 m -73.28 -48.84 31.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.727 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 mmt -36.75 -49.6 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 1.0 112.064 -177.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 91' ' ' LEU . 7.4 mp -75.64 -36.17 60.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 1.0 110.421 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -63.0 -62.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.852 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.436 ' OE1' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -52.25 -32.88 39.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.895 -178.838 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.436 ' N ' ' OE1' ' A' ' 93' ' ' GLN . . . -64.76 -57.26 9.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.647 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 95' ' ' ILE . 74.1 mt -75.34 -6.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.655 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -69.02 -57.94 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.506 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -73.74 -38.47 64.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.675 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 57.92 17.37 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.766 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 53.06 95.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.631 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -76.61 150.75 82.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.12 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -38.12 152.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.024 1.816 . . . . 1.0 112.562 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -109.29 150.35 28.1 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.411 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.055 -0.974 . . . . 1.0 110.583 179.765 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' B' ' 9' ' ' ASN . 1.8 m-20 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p -62.61 -33.68 75.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.713 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -58.32 -55.68 31.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.545 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.9 p -63.15 -41.4 99.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.711 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.63 -44.52 96.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.617 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.58 -15.67 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.987 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -77.8 -55.95 4.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.356 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.22 -17.94 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 1.0 110.694 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.7 p -73.83 -33.82 64.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.237 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -66.39 -28.36 68.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.481 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mt -65.96 -58.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.807 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 43.9 m-85 -61.28 -44.44 97.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.012 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.506 ' CB ' ' NZ ' ' B' ' 21' ' ' LYS . 5.3 ttpm? -60.12 -14.57 17.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.008 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.19 -40.95 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.664 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -55.97 156.49 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.726 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.87 -110.11 0.33 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -72.68 137.99 46.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 1.0 110.712 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' B' ' 27' ' ' ASN . 18.5 p90 -59.93 -35.84 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.756 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.422 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 23.8 m120 -46.6 -22.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 1.0 110.461 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.541 HH21 ' CG2' ' B' ' 31' ' ' ILE . 5.3 tpm_? -63.97 -36.52 84.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.448 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.33 -52.66 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.768 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -49.6 -36.54 24.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.006 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.541 ' CG2' HH21 ' B' ' 28' ' ' ARG . 95.1 mt -72.16 -72.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.147 -178.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 15.1 ptm -45.14 -29.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.87 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.22 -66.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 1.0 110.488 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.55 -30.45 60.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.737 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.521 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -68.31 -37.41 80.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.217 0.532 . . . . 1.0 109.598 179.271 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.8 m -46.93 -21.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.257 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.409 ' N ' ' C ' ' B' ' 35' ' ' LEU . 9.9 t -151.19 64.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.939 177.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -174.51 -166.03 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.844 0.354 . . . . 1.0 110.731 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -179.4 129.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.014 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.38 -177.79 5.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 1.0 111.072 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 43.4 m -76.45 -179.6 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.376 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 m -83.48 -34.97 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.829 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.32 -62.23 1.5 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.101 -0.8 . . . . 1.0 111.101 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -44.65 -48.66 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 1.0 110.881 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 11.0 tt -53.14 -24.43 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.815 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.5 m -80.73 -54.04 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.894 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -44.58 -51.19 9.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.969 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -60.86 -46.0 92.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.028 -178.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 mt -78.72 -3.0 42.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.358 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.4 25.56 4.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.846 0.313 . . . . 1.0 111.846 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.02 141.23 29.06 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.491 ' C ' ' H ' ' B' ' 54' ' ' SER . 10.2 t -80.28 126.36 31.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.506 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.61 -2.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.306 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.491 ' H ' ' C ' ' B' ' 52' ' ' SER . 59.4 m -80.08 -46.63 16.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.899 0.381 . . . . 1.0 110.52 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -80.45 -33.47 36.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.825 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 59' ' ' GLN . 92.4 t -45.8 -73.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.699 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -41.15 -43.84 2.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.296 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -66.82 -29.89 69.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.572 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' B' ' 56' ' ' VAL . 40.6 tp60 -63.73 -61.91 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.093 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.59 -44.51 65.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 1.0 110.955 -178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -43.92 -63.33 0.88 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.912 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -45.15 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.837 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.644 ' H ' HD12 ' B' ' 63' ' ' LEU . 7.5 mp -47.33 -53.74 12.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.862 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -40.15 -42.99 1.56 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.749 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -78.41 -18.82 54.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.475 -0.33 . . . . 1.0 111.357 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' B' ' 67' ' ' HIS . 60.6 t -79.47 -12.68 13.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.996 -0.282 . . . . 1.0 111.327 -178.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' B' ' 66' ' ' VAL . 6.6 t60 87.29 22.02 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 122.636 0.374 . . . . 1.0 111.175 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 40.1 mt -89.61 -74.07 0.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.745 0.307 . . . . 1.0 110.735 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 20.2 t -83.18 146.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.905 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -117.29 129.14 55.71 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.918 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.72 160.49 17.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.698 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -147.34 140.04 24.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.115 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -132.24 117.51 18.32 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.585 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -155.75 76.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.912 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.66 -74.13 0.28 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.788 -1.325 . . . . 1.0 109.788 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -171.99 -50.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 1.0 110.216 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -62.42 -167.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.201 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 25.9 ttt -131.19 86.05 2.33 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.779 -0.452 . . . . 1.0 109.779 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.539 ' O ' HG23 ' B' ' 79' ' ' ILE . 15.4 tt -85.52 102.31 11.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.824 -177.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -93.09 165.07 13.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.072 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.6 p -154.6 152.97 30.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 84' ' ' ASP . 14.5 mt -68.89 -18.48 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.835 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 57.51 -79.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.569 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' B' ' 82' ' ' LEU . 0.7 OUTLIER -67.95 100.28 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 1.0 110.607 179.669 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.66 -15.13 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.543 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -56.0 -23.15 31.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.582 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.4 t -76.51 -25.05 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.575 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.81 -24.85 41.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.365 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 67.4 p -78.49 -53.93 6.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.877 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' B' ' 90' ' ' MET . 0.0 OUTLIER -54.74 -26.47 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.566 -179.399 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 tp -75.12 -49.41 19.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.238 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -62.28 -42.62 99.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.489 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -55.57 -30.72 61.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.277 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.11 -45.29 61.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.437 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.453 HG22 ' O ' ' B' ' 95' ' ' ILE . 86.3 mt -76.61 -11.08 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.312 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -73.4 -38.17 65.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.621 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' B' ' 99' ' ' ASN . 21.2 m170 -79.28 -45.29 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.511 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 55.27 -82.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.668 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' B' ' 97' ' ' HIS . 5.4 t-20 -172.51 178.51 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.623 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.406 ' H ' ' CG ' ' B' ' 99' ' ' ASN . 12.1 t-160 -172.44 74.06 0.45 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.509 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.11 136.18 14.37 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.634 2.223 . . . . 1.0 112.476 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 55.9 mttm 46.92 -102.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.68 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.033 -0.984 . . . . 1.0 110.558 -179.845 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 11' ' ' ASP . 16.3 p30 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -78.02 38.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.463 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 9' ' ' ASN . 6.2 p-10 -161.82 -31.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.666 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.3 p -73.53 -59.45 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.8 mt -81.04 -12.61 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.529 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.91 -21.42 43.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.551 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -69.71 -62.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.761 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.0 m -61.75 -16.16 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.557 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.8 m -74.9 -39.94 61.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.485 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -62.34 -33.1 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.276 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 19.1 mt -61.55 -62.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.635 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -57.66 -44.33 85.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.682 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -59.36 -20.09 51.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.859 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -71.13 -42.79 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.663 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -51.9 156.3 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.518 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.3 -76.89 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.855 -0.898 . . . . 1.0 110.855 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -73.21 179.51 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 1.0 110.545 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.492 ' CG ' ' N ' ' A' ' 27' ' ' ASN . 27.6 p90 -99.77 -48.6 4.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.056 0.455 . . . . 1.0 109.995 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.492 ' N ' ' CG ' ' A' ' 26' ' ' TYR . 13.6 p-10 -65.18 2.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HE ' HD11 ' A' ' 63' ' ' LEU . 56.2 ttt-85 -63.85 -29.04 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.576 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 31' ' ' ILE . 42.0 mt -77.17 -54.37 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.705 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -42.0 -19.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.218 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 29' ' ' ILE . 6.6 mm -76.27 -41.38 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' ILE . 46.2 mtt -70.24 -35.94 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.871 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.84 -33.52 76.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.934 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.1 tp -78.93 -39.67 34.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.761 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -62.31 -30.64 71.3 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.5 t -38.68 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.419 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' LEU . 4.0 p -176.27 82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.069 177.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -153.33 -77.72 0.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.267 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 61.69 108.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.949 -0.389 . . . . 1.0 109.949 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.01 -176.83 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.917 0.389 . . . . 1.0 110.926 -177.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -65.11 167.1 8.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.364 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 43' ' ' GLY . 13.6 m -83.41 -35.96 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 1.0 111.042 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.99 -48.78 5.61 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.476 -0.65 . . . . 1.0 111.476 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -42.21 -52.89 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 1.0 111.13 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.5 pt -51.71 -26.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.775 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' GLY . 6.2 t -69.78 -73.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.977 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -57.89 -49.78 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.109 -178.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -50.05 -56.87 9.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.144 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 50' ' ' ASN . 31.1 mt -78.42 20.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.178 -178.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER 54.16 15.93 1.05 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.687 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.0 mt -88.59 149.92 23.32 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.994 -0.372 . . . . 1.0 109.994 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 54' ' ' SER . 17.9 p -83.13 136.12 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.302 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -63.9 9.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.77 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 52' ' ' SER . 37.8 p -74.83 -33.71 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.7 0.286 . . . . 1.0 111.023 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 57' ' ' SER . 15.5 p-10 -83.68 -47.04 11.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.202 -178.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 56' ' ' VAL . 5.7 m -54.1 -2.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.806 -178.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 55' ' ' ASN . 7.6 t -95.32 -60.52 1.65 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.945 0.403 . . . . 1.0 110.203 177.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.464 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 41.0 t-80 -79.07 -16.07 57.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.0 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.76 -70.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.144 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.68 -44.75 69.97 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.778 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -40.92 -65.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.356 . . . . 1.0 111.175 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 65' ' ' SER . 11.3 tp -51.47 -68.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.944 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.523 HD11 ' HE ' ' A' ' 28' ' ' ARG . 8.5 mp -41.1 -50.89 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.014 -177.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -57.84 -26.62 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.493 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 62' ' ' LEU . 7.5 t -80.59 -44.79 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.215 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.29 -2.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.618 -0.264 . . . . 1.0 110.923 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 68.93 14.52 8.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.328 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.3 mt -82.27 0.56 40.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.671 -0.24 . . . . 1.0 110.603 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -152.12 135.07 6.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.966 0.412 . . . . 1.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -98.77 119.84 38.2 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.216 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.73 172.95 8.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.68 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -149.9 132.56 15.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.318 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.524 ' CD ' ' N ' ' A' ' 73' ' ' ARG . 8.7 mpt_? -91.46 114.08 26.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.506 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 77' ' ' SER . 32.1 tt0 -131.06 112.38 12.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.446 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.49 -148.97 48.87 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -68.63 -50.07 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 1.0 110.378 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 78' ' ' MET . 35.1 t -82.57 -167.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.904 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.477 ' N ' ' OG ' ' A' ' 77' ' ' SER . 17.4 ptt? -154.71 163.43 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.013 -0.366 . . . . 1.0 110.013 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.6 mt -133.1 123.4 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.894 0.378 . . . . 1.0 110.273 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.671 ' CE2' HD23 ' A' ' 35' ' ' LEU . 40.2 p90 -86.49 155.63 20.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.287 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.7 m -158.9 152.21 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.002 0.43 . . . . 1.0 111.051 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.7 mt -81.56 -39.9 23.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.687 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t70 70.44 -55.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.68 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -54.69 95.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.496 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 tp -62.83 -19.03 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.56 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -68.11 -61.71 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.65 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.4 t -46.65 -41.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.738 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.86 87.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.783 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -72.92 -49.84 27.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.658 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.0 mmt -44.77 -33.96 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.869 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.402 ' C ' HD13 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -68.02 -62.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.077 -179.794 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -45.18 -53.65 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.784 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -46.34 -35.5 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.647 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.49 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.562 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.6 mm -75.35 -7.0 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.58 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.471 ' C ' ' H ' ' A' ' 98' ' ' ALA . 56.6 t-80 -88.67 -24.73 22.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.83 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -68.74 10.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.898 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 96' ' ' HIS . . . -70.46 62.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.66 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -164.58 159.41 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.641 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.0 m80 54.87 59.94 10.36 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.593 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -76.22 -97.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.675 2.25 . . . . 1.0 111.826 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt 40.99 35.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.222 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.557 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -48.7 -67.43 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.683 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -169.01 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.742 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -57.31 -43.14 83.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.775 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tp -76.55 -33.71 58.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.602 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' B' ' 17' ' ' THR . 39.7 tp10 -47.24 -44.31 22.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.06 -179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -68.15 -29.32 68.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.844 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.6 t -74.42 -25.35 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.893 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 68.1 p -74.13 -28.07 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.196 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.58 -39.18 88.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.476 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mm -53.7 -52.96 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -75.19 -44.35 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.914 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.71 -10.34 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.717 0.294 . . . . 1.0 110.776 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.29 -44.54 16.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.956 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.0 mt -48.6 153.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.768 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.65 -88.63 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.824 -0.91 . . . . 1.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 0.8 OUTLIER -81.16 109.23 15.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 1.0 110.688 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.484 ' C ' ' H ' ' B' ' 28' ' ' ARG . 17.2 p90 -47.49 -31.28 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.101 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.411 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 50.4 p-10 -56.12 -5.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.771 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.484 ' H ' ' C ' ' B' ' 26' ' ' TYR . 8.9 ptm180 -65.53 -24.73 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.012 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.95 -55.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.742 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -43.15 -32.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.094 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' B' ' 34' ' ' LEU . 48.0 mt -66.14 -70.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.551 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 39.5 mtt -42.28 -30.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.282 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.05 -34.37 76.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.839 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' B' ' 38' ' ' SER . 10.2 tp -77.46 -39.58 46.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.821 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.525 HD22 ' N ' ' B' ' 35' ' ' LEU . 3.2 mm? -67.22 -38.07 84.65 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.903 -0.319 . . . . 1.0 110.443 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -42.1 -25.98 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.27 . . . . 1.0 111.264 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.446 ' O ' HG13 ' B' ' 37' ' ' VAL . 7.1 p -162.9 68.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.562 0.696 . . . . 1.0 110.729 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' B' ' 34' ' ' LEU . 11.9 p -174.02 -171.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.431 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -177.93 127.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.266 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -177.91 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.815 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -69.57 170.94 9.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.407 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 t -80.03 -25.61 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.855 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.7 -47.07 2.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.431 -0.667 . . . . 1.0 111.431 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -41.43 -51.13 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.0 111.509 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.409 HD13 HG21 ' B' ' 45' ' ' ILE . 18.3 pt -55.4 -23.95 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.156 -178.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 40.0 p -70.91 -69.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 1.0 111.144 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.526 ' N ' ' OG ' ' B' ' 46' ' ' SER . 42.0 t-80 -52.24 -49.94 63.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.012 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' B' ' 50' ' ' ASN . 43.0 tt0 -53.58 -66.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.127 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 36.3 mt -65.13 7.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.208 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' B' ' 48' ' ' GLN . 4.7 m120 59.0 59.54 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.769 0.318 . . . . 1.0 110.891 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.5 mt -133.63 152.31 51.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.831 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.454 ' C ' ' H ' ' B' ' 54' ' ' SER . 22.8 p -78.61 111.6 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.427 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -60.79 -0.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.707 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.454 ' H ' ' C ' ' B' ' 52' ' ' SER . 10.1 t -74.93 -41.1 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.455 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' B' ' 59' ' ' GLN . 7.3 m-20 -84.72 -38.06 20.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.669 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' B' ' 59' ' ' GLN . 87.6 t -44.01 -77.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.938 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.2 m -43.48 -44.24 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.067 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -26.55 65.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.504 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' B' ' 55' ' ' ASN . 54.2 tp60 -71.58 -42.5 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.772 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.21 -40.79 86.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.634 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -47.98 -56.91 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.327 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.71 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.326 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.5 mt -36.58 -51.78 0.85 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.798 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -49.76 -48.39 50.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.845 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.3 t -62.18 -40.52 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.022 -178.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.543 ' O ' ' CG ' ' B' ' 67' ' ' HIS . 3.1 t -75.68 13.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.578 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' B' ' 66' ' ' VAL . 3.2 p80 52.97 18.75 1.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.151 0.426 . . . . 1.0 112.151 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.9 mt -79.81 -14.17 58.88 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 97.5 t -152.48 148.82 14.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.111 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -128.39 128.59 44.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.823 0.344 . . . . 1.0 110.412 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.77 172.24 9.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.444 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -146.3 144.51 29.87 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.005 0.431 . . . . 1.0 110.545 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.3 ptt85 -139.62 103.86 4.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.696 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -145.89 88.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.58 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 96.24 103.47 2.06 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 -175.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.477 ' N ' ' CD ' ' B' ' 76' ' ' GLN . 1.7 pm0 -20.71 84.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.64 0.776 . . . . 1.0 113.066 -176.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.46 ' N ' ' O ' ' B' ' 75' ' ' GLY . 19.2 m -175.99 91.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.863 -0.792 . . . . 1.0 108.863 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -71.54 115.92 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.439 -174.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 12.4 pt -147.22 129.8 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.138 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -106.56 168.24 9.3 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.026 0.441 . . . . 1.0 111.467 -176.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 16.0 t -169.99 160.78 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.672 -0.694 . . . . 1.0 110.782 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 56.0 tp -91.15 91.36 8.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 1.0 109.978 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -69.87 -8.72 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.179 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 2.5 m-20 -75.64 100.4 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.787 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.18 -41.88 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.593 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -56.43 -69.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.831 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 32.9 t -45.27 -51.87 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.975 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.32 -57.03 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.167 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 29.9 p -70.91 -46.9 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.812 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 24.1 ttt -46.25 -31.67 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.736 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.6 tp -72.64 -51.21 20.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.212 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -59.74 -39.38 84.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.308 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -55.62 -29.64 59.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.389 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.48 -48.22 42.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.513 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.442 HG22 ' O ' ' B' ' 95' ' ' ILE . 70.0 mt -78.71 -8.81 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.332 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.13 -38.53 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.491 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.472 ' C ' ' N ' ' B' ' 99' ' ' ASN . 28.3 m170 -74.59 -68.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.463 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 49.73 11.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.472 ' N ' ' C ' ' B' ' 97' ' ' HIS . 20.1 t-20 -78.51 116.5 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.757 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.686 ' H ' ' CD ' ' B' ' 101' ' ' PRO . 18.1 t-80 -172.83 -37.83 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.909 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.686 ' CD ' ' H ' ' B' ' 100' ' ' HIS . 34.2 Cg_exo -61.36 155.88 49.47 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.672 1.581 . . . . 1.0 112.179 -177.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -81.34 148.36 29.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.568 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.051 -0.976 . . . . 1.0 110.628 179.839 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 m120 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.8 p 54.72 54.38 9.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.65 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.14 -9.31 15.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.577 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.1 m -82.19 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.761 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.43 -30.58 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.519 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -49.14 -58.46 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.884 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -64.76 -24.52 67.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.183 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -73.06 -25.3 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.984 0.421 . . . . 1.0 110.213 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.8 m -77.54 -22.86 50.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.034 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.41 -40.15 89.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.177 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.61 -59.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.35 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -57.29 -42.04 80.94 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.45 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -53.58 -24.19 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.444 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.83 55.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.481 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.1 mt -46.14 133.27 9.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.491 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.25 -10.17 0.05 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.239 -0.744 . . . . 1.0 111.239 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -168.45 109.52 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 1.0 110.612 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -50.46 -26.34 4.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.754 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -63.17 -11.11 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.611 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 29' ' ' ILE . 40.0 ptt85 -62.87 -42.06 99.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.65 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 28' ' ' ARG . 46.8 mm -54.37 -50.79 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.148 178.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -54.19 -49.87 68.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.586 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' LEU . 77.6 mt -64.37 -63.44 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.743 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.5 mtp -44.72 -31.41 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.966 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -68.84 -31.46 70.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.939 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' ILE . 34.9 tp -83.27 -43.65 15.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.721 -178.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.49 -19.46 64.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 1.0 110.699 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.48 ' O ' HG13 ' A' ' 37' ' ' VAL . 43.7 t -70.6 -17.22 62.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.546 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 36' ' ' SER . 16.8 m -158.69 51.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.4 t 163.44 89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 1.0 110.089 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -74.73 151.49 39.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.674 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.18 -177.84 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.695 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 t -79.96 -173.17 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.387 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 43' ' ' GLY . 17.5 m -82.75 -42.08 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.76 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.53 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -81.8 -45.71 7.09 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.101 -0.799 . . . . 1.0 111.101 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -45.53 -30.58 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.659 0.266 . . . . 1.0 110.817 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.2 mt -79.11 -25.29 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.934 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLY . 11.0 t -70.84 -42.25 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.993 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -77.22 -49.12 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 1.0 111.212 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' C ' ' H ' ' A' ' 50' ' ' ASN . 68.2 mm-40 -66.07 -56.5 11.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.1 -178.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -70.53 11.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.223 -178.03 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.518 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 6.2 p-10 45.02 72.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.194 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.84 149.84 37.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.232 -0.655 . . . . 1.0 109.232 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 54' ' ' SER . 14.6 t -77.78 122.61 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -2.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.507 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.503 ' H ' ' C ' ' A' ' 52' ' ' SER . 26.7 t -74.95 -52.53 10.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 1.0 110.923 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.28 -28.08 42.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.058 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.01 -80.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.917 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 t -44.18 -48.91 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.06 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -56.33 -24.08 41.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.856 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -66.94 -52.16 46.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.91 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -50.73 -46.51 59.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.843 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -42.31 -72.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.021 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 48.6 tp -55.89 -73.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.462 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.53 HD11 ' CD2' ' A' ' 68' ' ' LEU . 20.0 tp -37.86 -50.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.892 -176.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -65.76 -48.81 70.59 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.867 -0.333 . . . . 1.0 111.137 -178.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.5 m -53.16 -19.29 2.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.213 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 66' ' ' VAL . 83.9 t -81.23 -8.1 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.046 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 18.6 t-80 82.59 16.83 0.35 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.646 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.53 ' CD2' HD11 ' A' ' 63' ' ' LEU . 20.9 tp -75.42 -88.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.409 . . . . 1.0 109.932 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.98 157.2 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 1.0 110.848 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -115.93 121.17 41.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.111 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.94 162.35 16.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.826 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -148.16 141.86 25.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.912 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 ptt85 -139.65 123.1 17.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.938 0.399 . . . . 1.0 110.611 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -160.5 97.51 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 100.28 102.39 2.48 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 44.07 -88.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.675 0.274 . . . . 1.0 111.236 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 75' ' ' GLY . 48.4 t -71.75 -167.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.659 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -153.04 144.5 23.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.771 179.662 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.6 mt -120.21 113.87 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 120.805 0.335 . . . . 1.0 110.363 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -98.07 144.06 27.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.5 p -158.06 179.63 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.203 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -171.15 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.163 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -158.5 -36.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.559 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.49 104.27 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 1.0 110.526 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.1 tp -75.24 -24.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.494 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -56.86 -62.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.809 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -55.95 -36.12 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.812 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.51 -47.25 76.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.777 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 49.2 p -75.62 -41.72 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.554 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.6 ttm -51.38 -33.21 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.544 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' ' 91' ' ' LEU . 3.0 tt -68.7 -59.7 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.065 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -48.9 -45.0 40.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.554 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -55.77 -25.39 40.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.585 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -76.73 -46.59 24.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.392 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.5 mm -65.32 -5.35 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.41 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -92.19 -55.67 3.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.604 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -48.88 -43.93 39.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.906 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.0 -5.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.809 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -82.63 81.15 8.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.919 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 10.3 m80 -77.24 -35.61 1.38 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.825 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 43.5 Cg_endo -90.94 171.71 3.19 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.125 1.884 . . . . 1.0 112.368 -178.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -62.82 165.32 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.511 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.103 -0.951 . . . . 1.0 110.588 179.747 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.6 p -76.03 166.33 23.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.619 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.94 -13.5 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.658 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' B' ' 13' ' ' LEU . 29.8 p -70.0 -61.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.735 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.447 HD23 ' O ' ' B' ' 13' ' ' LEU . 3.2 tt -46.58 -53.43 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.259 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' THR . 65.1 mt-10 -45.11 -54.08 7.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.966 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -46.25 -41.55 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.743 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 t -65.36 -23.45 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.603 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.442 ' N ' ' O ' ' B' ' 14' ' ' GLU . 7.1 m -72.15 -23.27 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.416 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.21 -33.3 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.473 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.61 -42.26 80.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.459 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -75.97 -39.26 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.594 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -58.25 -23.59 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -53.66 55.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.655 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 mt -39.2 123.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.404 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.404 ' H ' ' HG3' ' B' ' 28' ' ' ARG . . . -85.18 -122.95 1.18 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -81.62 -135.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 1.0 110.601 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.423 ' C ' ' H ' ' B' ' 28' ' ' ARG . 52.8 m-85 -100.05 -50.74 3.89 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 1.0 110.141 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -65.38 3.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.768 -0.651 . . . . 1.0 111.043 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.544 ' HE ' ' N ' ' B' ' 29' ' ' ILE . 1.9 tmm_? -60.97 -59.03 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 1.0 110.037 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.581 HG23 ' N ' ' B' ' 30' ' ' ARG . 8.6 tp -53.84 -48.59 61.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.325 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.581 ' N ' HG23 ' B' ' 29' ' ' ILE . 90.1 mtt180 -41.11 -45.33 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.181 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 64.9 mt -75.09 -54.0 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.406 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 2.5 tpt -44.31 -29.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.892 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.68 -66.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.618 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.53 -33.33 63.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.083 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' B' ' 37' ' ' VAL . 37.6 tp -64.2 -25.58 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 60.7 p -47.23 -18.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.331 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' B' ' 35' ' ' LEU . 3.5 p -177.11 82.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.324 0.583 . . . . 1.0 110.16 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 90.0 p -169.61 49.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.056 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -47.97 126.85 11.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.329 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -178.49 6.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.652 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.1 t -69.37 163.08 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.504 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.435 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.2 p -74.9 -38.89 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.376 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.435 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -83.85 -60.94 1.9 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.665 -0.574 . . . . 1.0 111.665 -177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -40.7 -55.66 2.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 1.0 111.349 -177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 tt -46.43 -29.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.596 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 14.5 p -75.62 -61.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.191 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.491 ' N ' ' OG ' ' B' ' 46' ' ' SER . 27.2 m80 -50.7 -53.66 29.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.063 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -52.18 -57.39 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.043 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 mt -73.99 8.68 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.021 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 m120 58.41 70.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 1.0 111.168 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 63.9 mt -136.94 145.62 44.46 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.809 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.473 ' C ' ' H ' ' B' ' 54' ' ' SER . 32.3 t -81.62 123.71 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.563 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -62.64 3.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.147 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.473 ' H ' ' C ' ' B' ' 52' ' ' SER . 18.4 m -80.53 -49.6 11.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 1.0 110.455 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' B' ' 59' ' ' GLN . 17.0 t-20 -84.92 -44.62 13.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.916 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 59' ' ' GLN . 93.3 t -41.53 -80.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.31 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -41.75 -45.36 3.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.237 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -68.74 -23.33 64.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.592 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' B' ' 56' ' ' VAL . 16.9 tt0 -71.87 -44.58 63.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.82 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.18 -42.98 96.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 1.0 110.51 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -47.0 -49.07 21.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.352 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.47 ' C ' HD23 ' B' ' 62' ' ' LEU . 2.0 tt -54.8 -72.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 1.0 109.899 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 mt -40.15 -51.47 2.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.242 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -60.07 -27.03 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.189 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.438 ' N ' ' O ' ' B' ' 62' ' ' LEU . 15.9 m -76.34 -24.46 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.977 -0.289 . . . . 1.0 111.031 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' B' ' 67' ' ' HIS . 2.4 t -77.87 9.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.696 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' B' ' 66' ' ' VAL . 9.1 p-80 58.29 15.13 3.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.651 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 70.1 mt -86.27 -68.87 0.71 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.867 0.365 . . . . 1.0 110.084 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 t -86.1 145.51 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.876 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -122.91 -175.1 3.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.052 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.15 129.82 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.786 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -89.6 136.28 33.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.571 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -79.15 114.09 17.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.572 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -132.78 102.12 5.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.33 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.12 -148.1 48.52 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.873 . . . . 1.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -60.83 -61.05 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 1.0 110.544 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.445 ' C ' ' SD ' ' B' ' 78' ' ' MET . 20.6 t -78.2 -174.96 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.787 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.567 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.7 mpt? -143.07 132.7 23.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.133 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 15.4 mm -88.15 118.01 32.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.944 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -76.41 153.1 35.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.199 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.2 t -169.81 158.39 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 1.0 110.769 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -76.23 -153.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.652 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -158.5 -49.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.11 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -81.6 96.45 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.125 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.611 ' C ' HD12 ' B' ' 85' ' ' ILE . 2.3 pp -69.51 -2.5 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.685 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.588 ' N ' HD12 ' B' ' 85' ' ' ILE . 20.4 m80 -79.07 -33.64 44.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.307 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 63.6 t -71.82 -40.75 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.589 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.57 -46.6 80.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.392 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 39.9 p -70.21 -43.67 70.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.52 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 27.1 ttt -52.5 -28.29 19.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.552 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.468 HD23 ' O ' ' B' ' 91' ' ' LEU . 2.2 tt -73.93 -59.3 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 1.0 109.958 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -53.65 -33.61 55.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.245 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -61.83 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.278 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.69 -48.67 30.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.514 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.47 HG22 ' O ' ' B' ' 95' ' ' ILE . 87.0 mt -76.14 -8.52 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.555 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -82.29 -36.37 27.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.597 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -78.62 -35.98 44.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.637 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.21 91.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.518 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -77.3 -170.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.78 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 59.08 66.98 2.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.786 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -45.49 155.48 0.45 Allowed 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.732 2.288 . . . . 1.0 112.247 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -160.87 -79.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.61 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.592 179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.9 p -66.03 -145.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.507 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -159.84 0.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -87.48 -59.56 2.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.452 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.6 mt -79.08 -30.6 44.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.438 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -50.57 -43.89 56.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.778 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -67.46 -36.86 82.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 1.0 110.569 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.2 t -68.49 -23.99 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.015 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.3 p -82.13 -17.43 46.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.509 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -79.38 -32.93 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.62 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.87 -60.38 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.752 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' CD1' ' B' ' 23' ' ' LEU . 64.2 m-85 -58.03 -42.27 84.99 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.842 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -58.81 -32.94 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.698 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.93 97.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.898 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp -37.38 118.53 0.64 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.457 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.03 -139.0 7.99 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.057 -0.817 . . . . 1.0 111.057 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -78.67 147.64 33.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 1.0 110.714 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.475 ' C ' ' H ' ' A' ' 28' ' ' ARG . 9.1 m-85 -45.3 -38.21 5.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.883 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -49.61 -11.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.475 ' H ' ' C ' ' A' ' 26' ' ' TYR . 62.2 ttt180 -64.77 -52.34 57.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.787 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.5 mt -50.63 -56.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.774 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.9 mtp-105 -45.16 -66.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.891 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.63 -54.54 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.668 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 32' ' ' MET . 1.6 tmt? -49.18 -34.26 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.85 -179.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.72 -67.77 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.056 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.08 -32.54 73.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.731 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.96 -17.38 61.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.43 . . . . 1.0 110.273 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.9 p -80.38 -14.02 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.591 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.9 t -157.36 89.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 1.0 109.756 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 39' ' ' GLU . 4.2 t 179.84 -53.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.28 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' SER . 14.1 mm-40 56.16 107.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 1.0 110.123 -177.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.11 -177.01 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.834 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -69.71 169.46 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.516 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.4 m -80.94 -34.83 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.91 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.36 -58.88 2.11 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.235 -0.746 . . . . 1.0 111.235 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -44.07 -53.99 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 1.0 110.968 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 tt -47.74 -29.08 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.685 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -76.25 -62.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.152 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -56.82 -49.9 74.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.122 -178.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -47.54 -50.35 23.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.877 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.2 17.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.051 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 55.01 76.83 0.24 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 1.0 110.561 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.1 tp -155.46 156.52 35.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.282 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -78.58 113.18 16.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.606 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.495 ' C ' ' H ' ' A' ' 55' ' ' ASN . 22.7 tt0 -48.67 -51.1 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.983 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 p -50.28 -9.16 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.036 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.495 ' H ' ' C ' ' A' ' 53' ' ' GLN . 23.6 t-20 -81.31 -59.73 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.447 -178.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 57' ' ' SER . 3.1 m -51.4 -48.63 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.978 -176.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 56' ' ' VAL . 58.5 m -42.86 -42.13 3.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.359 . . . . 1.0 111.07 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -78.91 -31.25 45.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.643 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -69.36 -54.32 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.175 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -56.64 -46.48 80.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.075 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' CB ' ' HZ2' ' A' ' 61' ' ' LYS . 7.7 ttpm? -42.02 -61.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.355 -177.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.4 tp -51.7 -70.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.688 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.9 mp -42.49 -53.71 4.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.811 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -44.3 -44.05 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.836 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.53 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 14.3 t -69.75 -18.9 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.401 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 25.5 t -80.29 -7.04 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.952 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.53 ' CE1' ' O ' ' A' ' 65' ' ' SER . 1.7 m-70 78.6 18.74 0.96 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.39 178.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.9 mt -81.36 -81.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 1.0 110.269 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.1 m -77.14 154.62 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.601 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -127.72 128.01 44.65 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.214 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.9 127.01 35.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.958 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -96.08 137.8 34.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.293 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -80.63 105.32 11.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.669 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' SER . 61.0 mt-30 -139.98 125.25 18.85 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.963 0.411 . . . . 1.0 110.985 -178.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 33.52 98.57 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 CA-C-N 115.47 -0.787 . . . . 1.0 112.384 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 52.8 -83.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.673 0.273 . . . . 1.0 111.12 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 75' ' ' GLY . 35.9 p -63.75 -177.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.69 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 77' ' ' SER . 9.9 mmt -128.46 114.19 16.48 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 109.933 -0.395 . . . . 1.0 109.933 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.0 mt -79.06 115.13 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.332 . . . . 1.0 110.706 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -72.96 147.54 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.651 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -160.69 147.03 15.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.716 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -84.99 129.06 34.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.5 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -81.7 -55.3 4.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.585 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -81.49 97.85 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.537 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 pt -78.56 15.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.66 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.99 -59.77 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.76 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 m -53.41 -27.25 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.53 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.11 99.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.74 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 58.9 p -76.66 -23.51 53.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.915 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 61.8 mmm -75.6 -29.09 59.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.668 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 23.5 tp -73.56 -47.51 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.408 ' HZ2' ' HB3' ' A' ' 92' ' ' LYS . 16.1 mtpp -52.6 -59.49 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.906 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -47.78 -27.72 2.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.741 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -69.77 -36.04 75.43 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.527 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.0 mm -76.71 -7.46 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.776 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -83.87 -61.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 1.0 110.631 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -53.84 -56.47 17.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.755 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.44 58.1 4.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.492 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -65.98 -131.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.603 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 58.81 58.66 5.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.726 0.298 . . . . 1.0 110.584 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.9 169.9 21.24 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.726 2.284 . . . . 1.0 111.99 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -55.78 -57.72 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.673 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 36.3 t30 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.488 ' C ' ' H ' ' B' ' 12' ' ' THR . 60.5 m -159.07 -59.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.523 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.9 6.14 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.587 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.488 ' H ' ' C ' ' B' ' 10' ' ' THR . 22.1 p -69.94 -60.38 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.023 -178.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.8 mt -77.88 -22.32 49.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.12 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -58.54 -37.69 76.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 1.0 111.074 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ttm105 -58.03 -58.22 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 1.0 110.937 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 m -64.76 -15.72 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.866 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -80.87 -27.12 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.059 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -72.24 -35.62 68.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.084 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 pt -68.49 -40.66 82.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.448 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -61.71 -42.2 98.62 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.229 -0.588 . . . . 1.0 110.47 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -61.74 -22.33 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.826 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.58 92.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.676 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 16.5 mt -50.86 146.26 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.543 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.2 -104.77 0.33 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.59 -1.004 . . . . 1.0 110.59 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -77.73 130.2 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 1.0 110.473 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' B' ' 28' ' ' ARG . 40.0 p90 -57.33 -33.83 68.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.777 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -46.45 -15.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.73 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' B' ' 26' ' ' TYR . 16.5 mtp180 -63.02 -37.04 85.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.609 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.4 -51.71 64.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.813 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -47.48 -53.43 14.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.131 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 pt -68.9 -41.65 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.175 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.0 mtt -57.55 -36.28 71.42 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.951 -0.3 . . . . 1.0 110.605 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -70.56 -26.72 63.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.885 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -80.16 -42.5 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.224 -178.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.07 -17.5 61.41 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.687 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 29.7 t -73.08 -18.68 61.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 1.0 110.347 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 t -148.3 56.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.184 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.7 p -174.19 178.81 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.386 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -157.44 121.56 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.071 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.97 -177.71 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -76.92 -173.27 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.547 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.52 HG13 ' N ' ' B' ' 43' ' ' GLY . 13.5 p -92.78 -41.87 12.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.225 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.52 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -86.78 -21.36 50.89 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.511 -0.636 . . . . 1.0 111.511 -177.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -73.95 -40.38 63.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.724 0.297 . . . . 1.0 110.834 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 pt -69.25 -21.05 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.892 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 27.7 p -78.17 -42.83 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.052 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.46 -52.09 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.95 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -54.83 -49.93 69.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.004 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 34.6 mt -75.84 8.31 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 1.0 111.167 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 62.05 67.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.745 0.307 . . . . 1.0 110.962 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' B' ' 46' ' ' SER . 56.3 mt -136.48 144.94 44.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.876 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.455 ' C ' ' H ' ' B' ' 54' ' ' SER . 30.9 t -78.48 117.96 20.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.617 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -57.65 -3.79 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.058 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.455 ' H ' ' C ' ' B' ' 52' ' ' SER . 13.5 m -86.04 -24.02 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.565 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -92.05 -40.02 11.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.142 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.649 HG13 ' N ' ' B' ' 57' ' ' SER . 13.6 p -45.92 -55.95 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.832 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.649 ' N ' HG13 ' B' ' 56' ' ' VAL . 8.8 t -42.91 -40.59 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.779 0.323 . . . . 1.0 110.982 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' HIS . . . . . 0.487 ' N ' ' ND1' ' B' ' 58' ' ' HIS . 1.4 m-70 -74.65 -32.53 62.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.358 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.5 OUTLIER -59.65 -71.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.252 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 63' ' ' LEU . 12.4 mt -43.08 -58.59 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.228 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -37.22 -67.96 0.16 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.825 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp -59.6 -20.16 53.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.696 -178.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.479 ' O ' HD13 ' B' ' 63' ' ' LEU . 0.2 OUTLIER -82.63 -46.47 13.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.659 -177.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' B' ' 66' ' ' VAL . 61.2 tttm -86.1 -26.43 25.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.081 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -66.05 6.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.763 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.488 ' H ' ' C ' ' B' ' 64' ' ' LYS . 46.6 t -114.53 -1.87 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.477 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.459 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 6.1 m-70 78.13 19.62 1.03 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.992 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 60.3 mt -80.92 -85.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.825 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 m -76.17 161.1 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.17 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -132.2 -163.47 1.34 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.694 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.2 -171.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 1.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -147.5 143.12 27.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.905 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -80.56 116.85 20.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.061 0.458 . . . . 1.0 110.666 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -128.73 91.43 3.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.676 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.24 -141.06 33.45 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -74.35 -37.96 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 1.0 110.661 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 55.2 p -80.21 -172.86 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.671 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 40.3 mtp -147.39 113.24 5.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.102 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.6 mt -85.04 110.04 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.727 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -78.81 154.4 29.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.615 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 5.7 m -166.61 150.04 7.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.581 ' N ' HD12 ' B' ' 82' ' ' LEU . 7.5 mp -82.39 113.98 20.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.972 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' B' ' 84' ' ' ASP . 7.2 p-10 -78.41 -64.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.713 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.454 ' H ' ' CG ' ' B' ' 83' ' ' ASP . 39.6 p-10 -68.43 99.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.754 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 pt -81.09 9.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.086 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -64.57 -54.46 31.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.801 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.37 -20.14 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.824 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.59 96.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.456 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 47.2 p -73.85 -41.69 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.389 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.8 mmt -58.27 -25.94 62.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.456 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.11 -43.39 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.424 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -65.01 -58.31 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.606 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -45.72 -36.78 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.761 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.16 -54.11 14.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.725 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.467 HG22 ' O ' ' B' ' 95' ' ' ILE . 72.4 mt -68.03 -5.44 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.681 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -77.01 -59.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.634 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' B' ' 99' ' ' ASN . 26.5 t-80 -80.86 -32.46 34.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.404 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 54.78 -82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.597 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' B' ' 97' ' ' HIS . 5.4 t-20 -172.72 -162.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.344 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.499 ' H ' ' CG ' ' B' ' 99' ' ' ASN . 0.0 OUTLIER -176.32 66.12 0.23 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.163 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.07 -27.94 4.18 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.587 2.191 . . . . 1.0 112.505 -177.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -78.58 112.29 15.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.932 -1.032 . . . . 1.0 110.554 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.4 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 24.0 p30 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.8 p -84.32 -170.87 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.504 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -159.71 -29.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.771 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -103.97 -44.09 5.11 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.591 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.3 mt -79.1 -9.89 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.88 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' O ' ' OG1' ' A' ' 17' ' ' THR . 22.0 pt-20 -56.22 -14.97 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.541 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -81.92 -61.62 1.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.005 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.13 -17.51 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.538 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.45 ' HB ' ' HZ2' ' A' ' 21' ' ' LYS . 24.3 p -75.92 -50.09 15.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.476 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -50.94 -19.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.425 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 19' ' ' ILE . 12.3 mt -81.1 -62.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.119 -179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -57.91 -44.41 86.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.277 -177.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HZ2' ' HB ' ' A' ' 17' ' ' THR . 29.5 mtmm -57.19 -49.12 76.99 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.655 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.508 ' C ' ' H ' ' A' ' 24' ' ' GLY . . . -47.89 -39.79 19.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 1.0 110.403 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 25' ' ' ASP . 4.5 tp -63.44 9.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 1.0 111.625 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 22' ' ' ALA . . . -64.15 68.34 0.05 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' LEU . 12.2 t0 -177.63 159.3 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.77 -0.455 . . . . 1.0 109.77 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 11.6 m-85 -99.68 -52.36 3.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.007 0.432 . . . . 1.0 110.179 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -64.75 3.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.074 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 26' ' ' TYR . 1.2 tmm_? -53.98 -57.64 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.178 -0.305 . . . . 1.0 110.178 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.1 mt -65.68 -36.33 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.894 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -51.17 -60.11 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.801 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mm -49.7 -32.76 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.695 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.7 mmt -79.18 -17.57 54.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.087 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 37' ' ' VAL . 76.6 tt0 -73.68 -35.17 65.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.134 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.5 tp -91.38 -37.43 13.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.757 -178.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD23 ' C ' ' A' ' 35' ' ' LEU . 2.9 tt -67.65 -61.37 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.393 . . . . 1.0 110.475 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 t -43.79 -23.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.07 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 33' ' ' GLU . 97.1 t -79.72 -32.2 14.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.078 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 39' ' ' GLU . 21.4 p -164.33 -139.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.688 -0.405 . . . . 1.0 111.122 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' N ' ' OG ' ' A' ' 38' ' ' SER . 6.8 tp10 -149.94 148.5 29.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.175 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.39 -177.37 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.486 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.577 ' HG ' ' CG ' ' A' ' 44' ' ' HIS . 6.7 p -74.91 176.53 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.209 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 43' ' ' GLY . 16.0 m -78.44 -40.39 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.027 -178.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.488 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -82.23 -41.89 9.03 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CG ' ' HG ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -45.35 -30.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 1.0 110.788 -179.079 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.6 mt -79.72 -25.68 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.751 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' GLY . 47.6 p -67.85 -52.31 38.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.052 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -74.73 -49.62 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.138 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' C ' ' H ' ' A' ' 50' ' ' ASN . 97.3 mt-30 -58.42 -60.6 3.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.865 0.364 . . . . 1.0 111.056 -178.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -67.68 2.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.303 -177.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 48' ' ' GLN . 14.1 m120 57.94 77.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.556 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 tp -157.97 157.83 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.224 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.6 m -79.24 113.16 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.715 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -52.46 -49.06 65.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.007 0.432 . . . . 1.0 110.684 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -39.52 -34.84 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.271 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -84.05 -43.84 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.479 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.1 t -42.47 -68.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.017 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 t -45.59 -38.57 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.847 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -71.82 -30.19 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.059 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -70.59 -49.12 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.551 -0.295 . . . . 1.0 111.079 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 mt -53.0 -53.53 48.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 1.0 110.999 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -40.12 -54.65 2.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.431 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.71 -55.51 16.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.681 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 63' ' ' LEU . 7.5 mp -63.06 -57.66 9.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.648 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -46.16 -20.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.998 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 66' ' ' VAL . 12.1 p -81.25 -53.52 6.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.047 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.408 ' N ' ' OG ' ' A' ' 65' ' ' SER . 4.3 m -78.59 22.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.422 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 69.0 t60 61.59 19.73 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.851 0.686 . . . . 1.0 112.851 174.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.7 mt -75.44 -20.04 59.1 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.338 -0.545 . . . . 1.0 110.285 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -150.48 145.55 16.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.198 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 81' ' ' SER . 55.4 tttp -121.44 107.98 13.11 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.269 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.77 134.14 34.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.771 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.77 133.08 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.31 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -114.67 89.21 3.04 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.207 -0.452 . . . . 1.0 109.884 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -104.53 123.02 46.77 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.978 0.418 . . . . 1.0 110.282 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.44 -119.93 17.37 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.314 -0.714 . . . . 1.0 111.314 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -102.34 -35.03 8.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.784 0.326 . . . . 1.0 110.743 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 p -67.35 167.29 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.554 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.0 ptm -151.39 136.59 17.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.398 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 79' ' ' ILE . 13.1 mt -142.33 126.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.303 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.424 ' O ' ' OE2' ' A' ' 39' ' ' GLU . 57.9 m-85 -77.29 133.55 38.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 1.0 110.825 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 70' ' ' LYS . 37.9 p -140.54 133.05 28.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.654 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 tp -82.22 102.28 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.089 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 85' ' ' ILE . 8.7 t70 -72.1 -51.62 20.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.58 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.86 83.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.662 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' ASP . 9.8 tp -73.89 -24.88 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.466 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' THR . 64.8 t60 -67.76 -54.94 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.655 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.6 t -47.49 -22.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.409 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.75 -30.16 45.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' HIS . 42.9 m -75.84 -46.11 32.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.609 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.4 mtm -62.56 -24.07 67.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.674 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.4 -43.53 63.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.608 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.85 -63.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.734 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -45.63 -38.75 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.779 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.52 ' O ' ' CE1' ' A' ' 97' ' ' HIS . . . -63.7 -50.96 67.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.671 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 95' ' ' ILE . 71.1 mt -78.91 -9.28 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.719 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -77.42 -24.01 50.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.798 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -65.97 -3.83 5.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.712 -179.71 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.411 ' N ' ' ND1' ' A' ' 97' ' ' HIS . . . -74.59 41.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.676 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' A' ' 97' ' ' HIS . 41.6 t30 -152.73 -43.26 0.1 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.674 -179.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 101' ' ' PRO . 62.1 t-80 57.57 73.94 0.71 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.735 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 100' ' ' HIS . 93.0 Cg_exo -45.93 179.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.787 2.325 . . . . 1.0 112.49 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -160.95 150.86 17.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.533 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.978 -1.011 . . . . 1.0 110.546 -179.87 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.3 m -73.6 64.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.473 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -154.41 -65.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -57.61 -41.02 80.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.186 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.47 -35.77 78.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.188 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -64.61 -27.88 69.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.961 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -68.43 -59.28 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 1.0 110.614 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.413 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 18.5 m -57.84 -10.52 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.59 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -82.06 -28.39 32.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.292 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -63.88 -41.86 97.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.9 -40.13 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.05 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 55.7 m-85 -75.46 -41.73 54.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.331 -0.548 . . . . 1.0 110.27 178.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -59.38 -28.5 66.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.336 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.18 95.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.514 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.0 mt -58.52 159.46 6.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.217 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.495 ' N ' ' NH1' ' B' ' 28' ' ' ARG . . . -179.93 -95.93 0.1 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' B' ' 27' ' ' ASN . 11.1 m-20 -52.5 102.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 1.0 110.786 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -46.29 -14.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.107 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' B' ' 25' ' ' ASP . 2.3 m-20 -70.65 -7.62 45.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 1.0 110.583 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.495 ' NH1' ' N ' ' B' ' 24' ' ' GLY . 94.2 mtt180 -76.7 -16.5 59.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.68 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mm -79.12 -69.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -41.96 -53.07 3.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.235 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.595 HG23 ' N ' ' B' ' 32' ' ' MET . 13.6 tt -56.79 -49.57 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.74 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.595 ' N ' HG23 ' B' ' 31' ' ' ILE . 26.8 ttt -47.31 -36.1 8.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.303 . . . . 1.0 110.762 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -65.87 -27.8 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.444 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.512 HD23 ' O ' ' B' ' 34' ' ' LEU . 0.8 OUTLIER -70.51 -39.41 74.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' B' ' 37' ' ' VAL . 3.5 mm? -54.95 -32.93 61.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 1.0 109.879 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 81.6 p -40.58 -21.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.905 0.383 . . . . 1.0 111.083 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' B' ' 35' ' ' LEU . 27.3 t -94.75 -56.32 5.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.048 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 3.8 t 68.56 71.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.843 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -172.99 64.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.711 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.04 159.69 26.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.727 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.4 p -71.58 167.5 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.277 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.72 -40.41 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.24 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -80.97 -48.03 6.29 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.468 -0.653 . . . . 1.0 111.468 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -43.52 -39.59 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 1.0 111.126 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.468 ' O ' ' CD2' ' B' ' 49' ' ' LEU . 83.0 mt -64.61 -28.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.082 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 43' ' ' GLY . 5.3 m -65.27 -42.1 93.57 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.006 -0.277 . . . . 1.0 111.373 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.93 -43.1 11.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.283 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -35.75 -68.65 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.448 0.536 . . . . 1.0 112.448 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.628 ' CD2' ' H ' ' B' ' 49' ' ' LEU . 0.8 OUTLIER -93.96 23.85 4.63 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.646 0.239 . . . . 1.0 111.646 -176.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.47 94.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 1.0 110.797 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.484 HD23 ' H ' ' B' ' 52' ' ' SER . 0.7 OUTLIER -159.14 142.05 14.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.484 ' H ' HD23 ' B' ' 51' ' ' LEU . 10.1 t -75.39 114.48 13.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 1.0 110.603 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -5.45 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.387 . . . . 1.0 111.131 -178.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 64.7 m -85.71 -19.0 31.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.631 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -105.28 -18.98 13.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.306 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.59 HG13 ' N ' ' B' ' 57' ' ' SER . 8.8 p -71.43 -53.64 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.351 -0.54 . . . . 1.0 110.959 -177.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.59 ' N ' HG13 ' B' ' 56' ' ' VAL . 95.5 p -41.3 -55.29 2.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 1.0 111.4 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -63.64 -25.96 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.882 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' B' ' 56' ' ' VAL . 7.9 tt0 -69.18 -47.31 65.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.297 -177.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.83 -49.03 76.53 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.042 -0.263 . . . . 1.0 111.137 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -42.4 -53.11 4.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.848 0.356 . . . . 1.0 110.779 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 tp -48.89 -68.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.431 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' B' ' 63' ' ' LEU . 15.6 mt -40.85 -45.74 2.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.358 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -63.82 -47.51 80.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.933 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.7 p -57.67 -35.83 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.272 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' B' ' 67' ' ' HIS . 19.2 t -77.7 -13.26 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.915 -178.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.44 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 2.1 t-80 82.51 14.35 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.328 0.393 . . . . 1.0 111.107 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.4 mt -78.12 -2.3 36.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 177.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.533 HG22 ' N ' ' B' ' 70' ' ' LYS . 4.3 p -169.01 162.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.36 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.533 ' N ' HG22 ' B' ' 69' ' ' VAL . 33.5 ttmt -151.65 130.47 12.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.349 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.13 133.25 42.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.796 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -89.99 156.26 18.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.367 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -103.4 103.48 13.47 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -98.59 109.68 22.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.767 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' B' ' 76' ' ' GLN . . . 40.67 46.43 3.75 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.78 -0.528 . . . . 1.0 111.78 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' B' ' 75' ' ' GLY . 5.5 tp-100 95.03 -43.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.377 0.671 . . . . 1.0 110.551 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 32.2 t -63.69 178.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.571 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 11.8 ptp -153.13 142.02 21.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.428 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.2 mt -146.26 124.82 4.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.127 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -68.51 144.32 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.655 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 30.2 t -160.68 139.16 10.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -67.77 122.08 17.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.27 -68.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.553 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.04 104.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.654 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.508 ' H ' ' CD1' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -74.66 8.43 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.738 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -85.51 -46.26 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.909 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.42 HG13 ' N ' ' B' ' 88' ' ' ALA . 10.1 p -72.4 -36.88 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.952 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.42 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -56.69 -46.95 80.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.701 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 5.9 t -75.71 -18.35 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.94 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 27.5 ttt -80.54 -28.1 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 1.0 110.704 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.92 -39.93 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -61.56 -60.61 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.571 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -46.7 -34.02 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.876 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.44 -53.25 24.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.899 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.442 HG22 ' O ' ' B' ' 95' ' ' ILE . 66.6 mt -79.75 -7.92 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.637 -178.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -77.44 -68.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.702 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -44.24 -46.1 8.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.796 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 49.31 45.79 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.794 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 10.9 m120 45.23 -137.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.719 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 54.71 57.15 11.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.71 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.11 -97.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.689 2.259 . . . . 1.0 111.954 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -62.6 123.69 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.553 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.643 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 10.5 p-10 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.3 p -147.0 9.86 1.0 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.382 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -72.23 -35.46 68.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.64 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.4 p -68.82 -42.02 77.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.541 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.7 tt -63.55 -48.42 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.933 0.397 . . . . 1.0 110.06 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -48.71 -25.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.66 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -68.65 -45.34 72.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.585 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.459 ' H ' HG23 ' A' ' 16' ' ' VAL . 3.2 t -61.9 -18.99 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.669 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 p -79.53 -28.34 41.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.107 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.26 -29.91 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.258 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.446 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 19.6 mt -66.82 -67.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.373 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -51.88 -42.56 62.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.572 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -64.26 -13.32 48.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.85 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -63.79 -50.34 69.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.847 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 23' ' ' LEU . 10.0 mp -53.48 170.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.33 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.59 -100.26 0.15 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.712 -0.955 . . . . 1.0 110.712 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 40.5 m-20 -79.13 129.23 34.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.689 0.28 . . . . 1.0 110.554 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 28' ' ' ARG . 6.7 m-85 -42.94 -52.03 5.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.271 -178.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -48.09 -11.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.094 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' TYR . 58.0 ttt-85 -61.2 -40.11 92.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.778 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.1 mt -78.56 -42.84 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.708 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -53.24 -55.1 27.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.966 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 32' ' ' MET . 20.9 tt -62.14 -37.83 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.835 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.441 ' N ' HG23 ' A' ' 31' ' ' ILE . 69.7 mtp -68.75 -14.71 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.443 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 37' ' ' VAL . 30.7 tt0 -72.23 -64.06 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.492 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.8 tp -53.34 -32.69 50.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.355 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.45 HD23 ' C ' ' A' ' 35' ' ' LEU . 1.5 tt -69.09 -67.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.645 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 m -51.78 -24.5 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.982 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 33' ' ' GLU . 74.8 t -85.2 -23.01 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.483 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t -169.95 132.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 1.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -81.85 152.15 27.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.657 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' HB3' ' CG2' ' A' ' 45' ' ' ILE . . . -162.2 -177.86 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.367 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.517 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 3.0 p -67.2 161.96 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.481 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 43' ' ' GLY . 8.4 p -68.78 -42.87 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.531 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.521 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -84.77 -56.67 2.43 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.328 -0.463 . . . . 1.0 112.062 -176.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.517 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 0.8 OUTLIER -40.01 -42.96 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.797 0.295 . . . . 1.0 111.797 -176.239 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.427 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 32.8 pt -61.76 -28.7 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.129 -177.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.4 p -70.27 -46.04 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.297 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -52.65 33.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.192 -177.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.14 -31.16 70.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.937 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.1 tp -81.82 -9.57 59.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.57 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 62.04 71.88 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.905 0.384 . . . . 1.0 109.993 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -156.86 159.23 37.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.119 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.7 m -80.33 115.41 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.486 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' VAL . 4.0 pt20 -58.44 -46.05 87.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.422 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 53' ' ' GLN . 6.2 m -39.4 -37.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.283 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -81.48 -38.28 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.449 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 59' ' ' GLN . 88.0 t -52.34 -72.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.6 p -42.62 -39.49 2.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.03 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -75.79 -26.48 57.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.664 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' VAL . 47.0 tt0 -71.96 -50.19 31.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.936 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 mt -58.25 -38.29 76.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 1.0 110.498 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -46.2 -46.22 17.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.907 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' ' 62' ' ' LEU . 2.0 tt -63.97 -66.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.422 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.9 mp -41.78 -52.14 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.857 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -44.47 -39.24 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 1.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 t -73.16 -24.1 60.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.879 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.469 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 6.8 t -80.57 -7.81 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.787 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 4.0 m80 75.64 18.58 2.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.52 -0.309 . . . . 1.0 111.198 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -87.71 -24.26 23.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.651 -0.25 . . . . 1.0 110.642 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.9 m -139.32 133.99 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.924 0.392 . . . . 1.0 110.477 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -107.82 131.8 54.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.273 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.71 155.85 19.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.481 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -155.25 138.92 16.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.676 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -97.66 106.07 18.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.25 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -152.72 158.15 41.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 1.0 110.735 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.03 -106.05 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.375 -0.69 . . . . 1.0 111.375 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.37 -72.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 1.0 111.089 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 79' ' ' ILE . 47.9 m -165.55 -167.52 1.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.925 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 51.4 mtt -57.16 77.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.017 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 77' ' ' SER . 78.0 mt -80.62 137.0 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 177.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -88.11 135.88 33.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.755 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 95.5 p -159.68 137.03 9.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.477 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.506 ' H ' ' CD2' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -74.8 -167.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.839 -179.512 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -157.61 -39.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.55 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -67.96 89.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.411 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.1 tt -58.75 -15.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.636 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -63.18 -55.11 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.518 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.1 t -48.48 -41.82 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.531 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.91 72.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.463 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 31.4 m -74.07 -48.53 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.591 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 34.7 ttm -43.38 -34.76 1.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.132 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' ALA . 35.1 mt -76.11 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.525 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -44.58 -41.13 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.665 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.7 -34.61 78.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.306 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -66.55 -49.41 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.426 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.92 -5.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.469 . . . . 1.0 110.139 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -98.12 -13.02 21.17 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.383 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -60.22 -50.03 75.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.65 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 50.43 68.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.355 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 11.0 m-80 -47.85 112.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.852 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 46.2 m80 -160.36 67.29 2.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.521 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 100' ' ' HIS . 84.7 Cg_exo -47.22 -178.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.59 2.193 . . . . 1.0 112.271 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -58.48 -42.98 88.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.504 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.976 -1.012 . . . . 1.0 110.549 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.768 ' N ' HD21 ' B' ' 9' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.428 ' O ' ' OE1' ' B' ' 14' ' ' GLU . 70.4 p -56.85 136.41 55.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.609 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.01 -10.73 4.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.407 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 78.9 m -74.67 -48.91 23.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.476 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.46 HD23 ' O ' ' B' ' 13' ' ' LEU . 3.3 tt -49.24 -51.89 30.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.216 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.536 ' H ' ' CD ' ' B' ' 14' ' ' GLU . 2.5 mp0 -47.61 -41.19 21.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.703 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 49.7 ttt85 -67.05 -36.95 83.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.644 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.37 -20.77 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.79 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.6 p -81.88 -28.47 32.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.163 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -65.38 -29.75 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.34 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.443 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 61.0 mt -70.38 -60.39 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.568 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -59.61 -39.48 84.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.846 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -75.14 -8.3 56.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.431 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -59.28 -45.71 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.589 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.581 ' N ' HD12 ' B' ' 23' ' ' LEU . 9.0 mp -50.47 165.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.14 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.94 -76.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.56 -176.19 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.733 0.302 . . . . 1.0 110.422 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -100.1 -50.04 4.1 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.944 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -79.73 2.83 21.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.752 -176.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -63.19 -24.07 67.72 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.509 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.567 HG23 ' N ' ' B' ' 30' ' ' ARG . 15.4 tt -80.91 -45.16 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.65 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.567 ' N ' HG23 ' B' ' 29' ' ' ILE . 36.0 ttp180 -41.36 -46.27 3.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.235 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' B' ' 34' ' ' LEU . 68.0 mt -57.64 -52.07 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.562 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 22.0 ttt -45.05 -40.45 6.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.718 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.58 -34.11 73.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.501 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' B' ' 31' ' ' ILE . 37.2 tp -71.54 -38.54 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.491 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 38' ' ' SER . 12.8 mt -70.67 -48.1 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.903 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.0 m -45.23 -22.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.783 0.325 . . . . 1.0 110.694 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' B' ' 35' ' ' LEU . 91.6 t -82.15 -40.78 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.371 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.429 ' N ' ' O ' ' B' ' 35' ' ' LEU . 14.1 p -176.1 -112.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.357 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -172.75 167.5 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 1.0 110.613 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.93 -177.85 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.622 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.4 t -62.57 159.05 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.45 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 t -72.75 -42.54 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.16 -178.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.02 -48.64 10.93 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.421 -0.671 . . . . 1.0 111.421 -178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -42.88 -63.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 1.0 111.122 -178.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 91.7 mt -39.1 -31.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.614 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -70.61 -47.14 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.433 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.48 ' C ' ' H ' ' B' ' 49' ' ' LEU . 23.5 m170 -78.94 -50.05 11.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.555 -176.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -68.8 11.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.969 -0.292 . . . . 1.0 111.319 -177.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' B' ' 47' ' ' HIS . 14.2 tp -133.65 1.2 3.35 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.92 0.39 . . . . 1.0 110.14 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 m120 60.02 63.23 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.707 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.415 HD11 HH21 ' B' ' 30' ' ' ARG . 98.1 mt -141.87 161.01 39.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.904 0.383 . . . . 1.0 110.134 176.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.483 ' C ' ' H ' ' B' ' 54' ' ' SER . 20.4 m -78.44 107.76 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.348 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -57.02 -4.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.852 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.483 ' H ' ' C ' ' B' ' 52' ' ' SER . 72.7 m -72.04 -44.85 62.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.531 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -81.94 -37.13 27.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.728 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 95.3 t -41.75 -71.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.213 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.5 m -47.44 -36.47 10.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.975 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -74.14 -24.81 59.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.24 -178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -74.3 -45.14 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.806 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -56.14 -42.38 76.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 1.0 110.681 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -45.27 -62.22 1.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.927 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.475 ' C ' HD23 ' B' ' 62' ' ' LEU . 1.9 tt -53.24 -66.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.75 -178.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.457 ' N ' HD12 ' B' ' 63' ' ' LEU . 8.4 mp -43.95 -48.39 8.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.652 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -46.12 -34.21 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.714 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.0 m -81.3 -27.62 34.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.988 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.66 -12.53 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.764 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 t60 78.62 17.47 1.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.285 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.98 -10.06 55.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.758 0.313 . . . . 1.0 110.53 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -153.53 149.95 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.368 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -120.51 -163.2 0.99 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.252 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.28 156.16 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.444 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -154.48 160.92 41.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 1.0 110.51 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -140.01 121.87 15.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.892 -0.595 . . . . 1.0 109.943 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.477 ' C ' ' H ' ' B' ' 76' ' ' GLN . 42.7 tt0 -151.41 88.36 1.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.861 0.362 . . . . 1.0 110.808 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.3 -30.01 0.99 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' B' ' 74' ' ' GLN . 82.2 mt-30 -85.88 -104.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.58 0.229 . . . . 1.0 110.415 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 57.1 m -160.64 -167.68 1.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 1.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 53.9 mtt -74.94 75.62 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.398 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 82.4 mt -92.17 117.99 36.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.752 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -75.43 153.52 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.659 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -170.07 -152.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.402 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.594 HD23 ' H ' ' B' ' 82' ' ' LEU . 0.6 OUTLIER -157.01 -168.82 2.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.454 179.295 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -159.48 -24.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.216 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 25.0 p-10 -71.25 91.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 1.0 110.793 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' B' ' 88' ' ' ALA . 17.9 tt -74.16 -12.24 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.447 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -54.29 -57.22 12.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.874 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.82 -28.96 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.754 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 85' ' ' ILE . . . -54.51 -45.28 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 1.0 110.738 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 30.8 p -70.41 -43.37 70.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.789 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 71.2 mmm -42.65 -36.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.199 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 24.5 mt -76.23 -43.26 42.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 1.0 110.432 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.32 -55.96 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.684 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -50.32 -30.62 12.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.688 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.501 ' O ' ' ND1' ' B' ' 97' ' ' HIS . . . -74.99 -43.68 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.699 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.443 HG22 ' O ' ' B' ' 95' ' ' ILE . 77.1 mt -79.87 -10.22 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.603 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -26.57 35.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.529 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.569 ' ND1' ' N ' ' B' ' 98' ' ' ALA . 0.2 OUTLIER -45.64 -33.3 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.624 179.588 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.569 ' N ' ' ND1' ' B' ' 97' ' ' HIS . . . 53.89 6.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.05 178.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.52 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 15.4 t-20 46.59 44.27 13.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 1.0 110.616 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' B' ' 99' ' ' ASN . 64.9 m-70 -160.17 59.07 1.19 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.464 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -76.33 9.89 2.34 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.759 2.306 . . . . 1.0 112.026 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 53.37 -159.21 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.489 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.955 -1.021 . . . . 1.0 110.383 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.677 ' N ' HD21 ' A' ' 9' ' ' ASN . 1.1 m120 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.2 p 49.41 68.1 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.384 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -51.81 -37.26 50.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.828 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 16' ' ' VAL . 47.1 p -56.83 -48.41 78.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.821 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.3 mt -81.82 -32.83 31.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.753 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' OG1' ' A' ' 17' ' ' THR . 59.8 tt0 -49.39 -44.26 44.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.735 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.58 -34.11 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.725 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 12' ' ' THR . 58.3 t -73.2 -23.52 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.671 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 13.3 p -77.15 -21.31 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.148 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -77.35 -31.44 54.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.464 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 60.8 mt -61.73 -57.57 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.593 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -59.84 -41.7 91.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.81 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -63.89 -5.09 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.796 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -79.41 -41.71 27.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 1.0 110.554 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 mt -38.53 120.37 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.323 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.25 -128.57 4.55 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.658 -0.977 . . . . 1.0 110.658 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 26' ' ' TYR . 21.0 t0 -80.69 141.02 35.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.701 0.286 . . . . 1.0 110.485 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.429 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 23.0 m-85 -46.44 -29.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.98 -178.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.402 ' OD1' ' NH2' ' A' ' 30' ' ' ARG . 22.6 m-80 -60.89 -6.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 1.0 110.67 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.476 ' HE ' HD21 ' A' ' 63' ' ' LEU . 57.6 ttt-85 -62.23 -48.97 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.137 -178.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.595 HG23 ' N ' ' A' ' 30' ' ' ARG . 10.4 tp -53.25 -48.0 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.746 -178.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.595 ' N ' HG23 ' A' ' 29' ' ' ILE . 41.5 ttp180 -44.68 -53.15 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.794 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' LEU . 80.0 mt -67.74 -54.78 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.75 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 32' ' ' MET . 1.9 tmt? -43.29 -29.51 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.033 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -75.75 -36.77 59.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.627 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' ILE . 32.3 tp -60.4 -37.1 79.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.507 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 35' ' ' LEU . 3.3 mm? -65.46 -45.41 83.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.185 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -46.33 -25.03 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.361 . . . . 1.0 110.585 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.424 ' O ' ' OG ' ' A' ' 38' ' ' SER . 12.5 t -84.92 -50.73 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.987 -179.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 47.5 m -167.66 -131.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.609 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 39' ' ' GLU . 1.6 pm0 -154.12 160.99 42.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.351 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.36 -177.77 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.587 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 p -76.58 174.6 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.378 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -73.02 -42.07 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.079 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.3 -49.85 7.98 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.538 -0.625 . . . . 1.0 111.538 -178.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -43.02 -53.67 4.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 1.0 110.968 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.2 mt -54.03 -33.97 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 m -69.94 -71.84 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 1.0 111.203 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -57.08 -48.16 79.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.204 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -37.23 -68.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 1.0 112.037 -176.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.469 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 0.6 OUTLIER -97.36 38.29 1.28 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 122.335 -0.228 . . . . 1.0 111.517 -178.687 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 49' ' ' LEU . 8.2 p30 45.88 98.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.275 0.559 . . . . 1.0 111.756 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' CD1' ' NH2' ' A' ' 30' ' ' ARG . 6.9 tp -164.3 152.31 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.472 -0.785 . . . . 1.0 109.508 176.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.4 p -80.37 114.28 19.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.721 0.296 . . . . 1.0 111.125 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -66.22 -2.46 4.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.813 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 t -70.64 -46.37 63.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.611 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 59' ' ' GLN . 35.7 t30 -79.35 -35.29 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.785 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.5 t -45.58 -76.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.879 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.6 p -42.8 -44.88 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.239 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.13 -24.79 60.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.826 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 55' ' ' ASN . 56.9 tt0 -73.0 -51.89 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.905 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.27 -31.7 72.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.34 . . . . 1.0 110.664 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -51.77 -58.5 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.571 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.4 tp -47.96 -56.45 7.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.465 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 63' ' ' LEU . 7.7 mp -52.19 -48.93 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.716 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -45.92 -50.01 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 1.0 110.905 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 m -65.66 -32.67 74.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.797 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 66' ' ' VAL . 92.1 t -76.57 -7.32 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.658 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.6 m80 68.15 17.08 9.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.726 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -76.99 -9.85 58.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.033 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -152.03 147.13 15.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.402 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -96.89 128.52 43.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.158 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.8 103.05 15.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.931 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' ILE . 81.7 tttt -92.49 119.29 31.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.727 -0.471 . . . . 1.0 109.727 177.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -140.48 123.97 16.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.097 0.475 . . . . 1.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' GLN . 63.2 tt0 -89.94 121.93 32.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.868 -0.605 . . . . 1.0 109.644 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.07 -94.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' GLN . 79.2 mt-30 -125.41 87.7 2.74 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.9 t -173.69 124.4 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.3 mtt -87.12 121.08 29.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.085 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 72' ' ' LYS . 10.5 mt -146.36 100.34 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.144 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -82.03 146.51 29.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 1.0 110.926 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.9 p -165.64 149.61 8.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.804 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.38 120.23 28.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.48 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -84.15 -13.56 52.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -76.19 146.25 39.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.516 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 86' ' ' HIS . 2.1 pp -111.51 0.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.298 178.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.606 ' N ' HD12 ' A' ' 85' ' ' ILE . 2.2 t60 -89.44 -61.57 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.643 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.2 t -45.6 -48.49 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.753 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.94 -52.62 23.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.993 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.9 p -72.57 -46.87 52.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.739 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.491 ' O ' ' SD ' ' A' ' 90' ' ' MET . 1.5 tmt? -47.08 -27.39 1.35 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.456 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 tp -72.67 -55.21 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 96' ' ' HIS . 0.7 OUTLIER -56.82 -47.55 80.02 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 178.41 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -48.08 -37.39 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.91 -51.36 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.486 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 95' ' ' ILE . 76.4 mt -76.28 -6.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.446 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 92' ' ' LYS . 69.1 t60 -71.94 -45.33 61.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.37 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -56.85 -23.17 42.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.521 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.09 -33.86 44.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.607 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 19.6 m-20 -67.07 -176.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.899 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 90.7 m-70 -159.98 67.94 2.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.449 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -43.11 95.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.72 2.28 . . . . 1.0 112.45 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -75.29 -23.17 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.627 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.566 179.738 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.437 ' N ' ' HG1' ' B' ' 12' ' ' THR . 12.8 t-20 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.9 p 42.45 28.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.124 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -159.8 -62.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.75 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.437 ' HG1' ' N ' ' B' ' 9' ' ' ASN . 47.2 p -70.0 -37.14 75.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.555 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 tp -52.64 -48.4 66.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.98 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -47.71 -28.6 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -82.07 -24.26 35.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.969 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.5 t -74.82 -27.03 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.967 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.423 ' H ' HG22 ' B' ' 17' ' ' THR . 2.0 t -81.9 -29.93 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.139 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -59.49 -38.99 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.191 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.77 -68.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.409 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -50.9 -40.96 58.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.673 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -59.14 -32.84 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.9 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.23 -44.84 79.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.845 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 tp -37.6 113.69 0.28 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.477 -178.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.87 -139.54 8.21 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.97 141.31 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 1.0 110.713 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.523 ' CE2' ' OD1' ' B' ' 27' ' ' ASN . 29.9 p90 -47.44 -22.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.767 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.523 ' OD1' ' CE2' ' B' ' 26' ' ' TYR . 30.8 m-20 -59.95 -9.56 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 1.0 110.407 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -68.92 -37.52 78.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.796 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mt -58.78 -63.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.596 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -43.11 -46.0 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.81 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.68 -57.29 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.436 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 36.0 tpp -48.88 -37.9 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.847 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.17 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.729 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 56.3 tp -46.34 -27.76 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.481 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -60.48 -34.38 73.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.106 0.479 . . . . 1.0 109.926 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.5 t -40.65 -21.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.279 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' B' ' 35' ' ' LEU . 2.1 p -175.36 86.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.331 0.586 . . . . 1.0 110.1 178.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 29.2 m -171.88 179.99 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.643 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -174.59 124.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.314 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.33 -177.61 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 1.0 110.825 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.1 p -78.68 -177.74 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.502 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 t -77.87 -33.93 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.737 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.39 -51.11 4.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.137 -0.785 . . . . 1.0 111.137 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -44.79 -65.65 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 1.0 110.875 -179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.416 HG23 ' N ' ' B' ' 46' ' ' SER . 18.8 tt -50.29 -36.27 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.639 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.416 ' N ' HG23 ' B' ' 45' ' ' ILE . 30.9 m -72.78 -67.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.175 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -52.66 -51.19 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.237 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.476 ' C ' ' H ' ' B' ' 50' ' ' ASN . 80.5 mm-40 -48.92 -63.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.058 -178.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.74 13.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.281 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.476 ' H ' ' C ' ' B' ' 48' ' ' GLN . 5.6 m-20 60.36 65.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 1.0 111.115 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 mt -136.21 148.71 48.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.87 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.468 ' C ' ' H ' ' B' ' 54' ' ' SER . 20.1 t -77.02 106.04 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.162 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -58.53 -2.76 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.005 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.468 ' H ' ' C ' ' B' ' 52' ' ' SER . 20.5 t -76.88 -43.74 34.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.419 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' B' ' 59' ' ' GLN . 49.2 t30 -82.67 -40.93 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.648 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' B' ' 59' ' ' GLN . 63.9 t -45.34 -74.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.806 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 57.6 p -46.01 -41.09 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.686 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -70.93 -20.3 62.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.73 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' B' ' 56' ' ' VAL . 43.0 tt0 -78.97 -42.42 26.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.781 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.3 mt -59.3 -39.91 84.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.405 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.29 -56.28 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.609 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.473 ' C ' HD23 ' B' ' 62' ' ' LEU . 2.0 tt -49.24 -70.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.213 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.552 ' N ' HD12 ' B' ' 63' ' ' LEU . 10.0 mp -41.76 -51.08 4.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.831 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.422 ' CB ' ' NZ ' ' B' ' 64' ' ' LYS . 2.6 ttmp? -50.11 -39.32 42.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 1.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -72.34 -23.42 61.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.666 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.465 ' O ' HG12 ' B' ' 66' ' ' VAL . 43.5 t -77.23 -5.08 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.584 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 38.9 t60 68.68 11.8 8.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.471 HD23 ' C ' ' B' ' 68' ' ' LEU . 2.0 tt -82.07 -74.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.802 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.408 HG12 ' N ' ' B' ' 70' ' ' LYS . 24.6 t -85.17 155.82 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.625 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.455 ' NZ ' ' H ' ' B' ' 83' ' ' ASP . 23.4 pttm -139.17 -163.54 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.04 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -164.38 -166.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.411 . . . . 1.0 110.815 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -153.21 143.3 22.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.043 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -88.22 114.77 25.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.98 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -118.64 88.84 3.0 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.74 -130.83 23.19 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.312 -1.115 . . . . 1.0 110.312 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -81.25 -28.59 34.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 1.0 110.547 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -75.73 -174.61 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.933 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.2 ttt -163.78 96.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.882 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.405 HD13 HG21 ' B' ' 79' ' ' ILE . 16.6 mt -82.96 120.88 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.126 -177.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -79.05 157.4 28.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.4 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 19.6 t -168.76 178.67 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.985 0.421 . . . . 1.0 111.155 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.9 tp -156.29 102.44 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.841 -0.618 . . . . 1.0 109.654 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.455 ' H ' ' NZ ' ' B' ' 70' ' ' LYS . 25.0 t0 -77.18 4.31 10.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.814 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -80.89 87.23 5.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 1.0 110.631 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 25.1 pt -73.59 8.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.53 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -81.95 -48.14 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.666 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.409 HG13 ' N ' ' B' ' 88' ' ' ALA . 12.4 p -77.78 -36.56 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.676 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.409 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -47.34 -55.33 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.525 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 3.4 t -63.41 -40.35 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.715 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 10.8 ttt -44.18 -34.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.945 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 94' ' ' ALA . 16.8 mt -73.83 -57.95 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.258 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -47.82 -27.88 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.278 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -69.78 -33.55 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.529 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -67.2 -44.55 79.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.417 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.709 ' N ' HD12 ' B' ' 95' ' ' ILE . 1.8 mp -75.52 -6.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.087 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -71.14 -64.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 1.0 110.288 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 99' ' ' ASN . 23.0 p-80 -87.7 -24.6 23.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.112 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 47.16 -88.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.707 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' B' ' 97' ' ' HIS . 17.5 t-20 -109.8 134.36 52.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -63.02 152.0 84.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 102' ' ' LYS . 39.4 Cg_exo -37.1 137.22 0.29 Allowed 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.088 1.859 . . . . 1.0 112.733 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' B' ' 101' ' ' PRO . 75.9 tttt 55.46 109.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.519 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.045 -0.978 . . . . 1.0 110.558 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.8 t30 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.488 ' C ' ' H ' ' A' ' 12' ' ' THR . 34.7 p -61.74 85.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.644 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 57.65 3.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.752 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.488 ' H ' ' C ' ' A' ' 10' ' ' THR . 46.7 m -81.53 -69.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.502 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 15' ' ' ARG . 2.4 tt -56.93 -45.38 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.502 . . . . 1.0 109.8 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -43.71 -17.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.932 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 13' ' ' LEU . 10.0 tpt180 -64.47 -57.65 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.314 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.447 ' H ' HG23 ' A' ' 16' ' ' VAL . 4.8 t -57.69 -18.7 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.532 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 m -79.59 -28.11 41.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.513 . . . . 1.0 109.824 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.78 -33.4 72.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.294 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.4 mt -66.58 -69.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.495 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -50.99 -41.7 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.675 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.92 -28.55 57.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.684 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.44 86.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.732 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.462 ' N ' HD22 ' A' ' 23' ' ' LEU . 3.5 mm? -49.75 142.78 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 1.0 109.918 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.57 -126.77 1.58 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.784 -0.926 . . . . 1.0 110.784 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.46 132.54 54.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 1.0 110.722 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -68.98 -12.59 61.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.847 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -68.32 -20.09 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 1.0 110.462 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -64.46 -33.69 76.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.783 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.4 -52.25 54.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.511 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -47.46 -41.49 20.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.754 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 mt -64.39 -61.82 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.428 ' O ' ' OG ' ' A' ' 36' ' ' SER . 62.5 mtt -46.2 -24.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.779 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -73.87 -32.4 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.969 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.517 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -90.97 -41.69 10.98 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.062 0.458 . . . . 1.0 110.227 -179.059 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 tp -74.94 -57.63 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.459 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 32' ' ' MET . 2.9 m -52.11 -14.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.244 0.461 . . . . 1.0 112.244 -175.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.4 m -102.83 -23.44 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 122.4 -0.188 . . . . 1.0 111.221 -178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 m -156.29 145.49 20.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.868 0.366 . . . . 1.0 110.749 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.4 143.9 29.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.751 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.82 -178.72 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.347 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.459 ' O ' HG22 ' A' ' 45' ' ' ILE . 24.2 p -77.59 176.8 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 43' ' ' GLY . 14.6 p -78.56 -38.48 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.873 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.472 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -85.63 -56.98 2.26 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.246 -0.742 . . . . 1.0 111.246 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.42 -41.84 4.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.316 . . . . 1.0 110.961 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 41' ' ' SER . 17.8 tt -70.75 -30.31 41.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.552 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' GLY . 29.6 p -76.36 -58.28 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.916 -179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.516 ' CD2' ' OE1' ' A' ' 53' ' ' GLN . 34.2 m80 -50.52 -51.73 44.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.791 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -55.06 -45.77 75.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.086 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.93 4.81 11.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.255 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 60.22 60.55 2.03 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.886 -0.326 . . . . 1.0 111.051 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 mt -133.39 151.91 51.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.972 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 54' ' ' SER . 18.0 m -78.53 107.12 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.594 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.63 ' NE2' ' H ' ' A' ' 53' ' ' GLN . 1.8 pm0 -57.24 -3.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.795 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 52' ' ' SER . 7.0 m -77.8 -44.64 26.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.498 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -79.07 -37.07 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.584 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.1 t -44.31 -66.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 t -43.34 -36.97 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -77.7 -30.94 52.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.74 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' VAL . 34.1 mt-30 -67.65 -54.22 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.768 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 14.0 mt -50.3 -45.75 54.85 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.619 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -37.79 -51.58 1.27 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.508 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.9 tp -58.39 -55.27 37.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.743 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.8 mp -53.48 -52.82 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.518 -176.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -32.69 71.73 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.817 -177.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -81.06 8.79 7.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.461 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 66' ' ' VAL . 61.6 t -126.06 -3.98 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.065 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.1 m80 71.09 16.65 6.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.884 0.373 . . . . 1.0 110.383 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tp -80.89 -14.95 57.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.2 t -149.44 133.16 8.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.632 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -96.96 107.28 19.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.197 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.56 160.21 17.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.513 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -150.3 150.05 30.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.176 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 123.62 18.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.023 0.44 . . . . 1.0 110.277 -179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -160.26 81.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.051 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.86 -175.36 20.62 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.774 -1.33 . . . . 1.0 109.774 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -56.13 -65.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.619 -0.432 . . . . 1.0 109.893 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.446 ' C ' ' SD ' ' A' ' 78' ' ' MET . 51.6 p -70.9 -169.45 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.462 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 77' ' ' SER . 2.1 mpt? -140.51 157.26 45.76 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.345 -0.389 . . . . 1.0 109.992 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 79' ' ' ILE . 8.6 mt -146.47 107.4 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.624 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 6.6 p90 -108.84 152.29 25.09 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.017 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 m -167.18 174.05 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 1.0 110.715 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.603 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.9 mp -83.17 -172.42 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 1.0 109.915 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -159.65 -50.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.57 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.9 102.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.9 pt -73.09 4.23 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.584 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -81.03 -47.24 13.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.711 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 88' ' ' ALA . 12.3 p -79.09 -39.44 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.007 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.461 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -53.1 -50.69 63.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.764 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.4 m -67.36 -40.31 85.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.843 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 90' ' ' MET . 12.8 tmm? -45.87 -31.84 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.588 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -76.6 -62.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.106 179.439 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 68.2 mttm -50.12 -36.88 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.464 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.99 -22.86 67.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.385 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -76.02 -47.52 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.502 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 95' ' ' ILE . 63.9 mt -74.16 -6.35 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.178 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 92' ' ' LYS . 1.9 m-70 -81.77 -46.88 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -43.94 -52.82 6.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.868 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 99' ' ' ASN . . . 58.39 38.52 25.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.674 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 98' ' ' ALA . 2.5 m120 51.11 174.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.618 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -79.21 150.63 74.55 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.223 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -37.81 142.89 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.994 1.796 . . . . 1.0 112.643 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -62.64 110.22 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.6 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.013 -0.994 . . . . 1.0 110.611 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.401 ' C ' ' H ' ' B' ' 11' ' ' ASP . 23.1 m120 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.294 -0.632 . . . . 1.0 109.294 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -64.21 -1.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.708 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' B' ' 9' ' ' ASN . 3.6 m-20 -80.33 -74.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.654 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' B' ' 15' ' ' ARG . 20.5 p -67.43 -40.75 85.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.857 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 15' ' ' ARG . 22.6 tp -51.22 -55.06 20.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 1.0 110.799 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -41.09 -24.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.702 0.287 . . . . 1.0 111.524 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' B' ' 13' ' ' LEU . 18.9 mmm180 -57.94 -61.31 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.025 -0.27 . . . . 1.0 111.469 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.523 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 3.9 m -61.85 -19.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.981 -177.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -77.08 -18.66 57.87 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.006 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -80.27 -44.08 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.075 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 13.2 pt -61.52 -41.55 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.321 -176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 30.0 m-85 -74.97 -45.16 44.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.41 -0.516 . . . . 1.0 110.526 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -64.07 -16.48 61.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 1.0 110.539 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.37 82.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.472 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 41.6 mt -52.8 166.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.502 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.478 ' N ' ' NH1' ' B' ' 28' ' ' ARG . . . -160.69 -26.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -153.89 128.98 9.63 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.932 -0.395 . . . . 1.0 109.932 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' B' ' 27' ' ' ASN . 44.8 p90 -59.93 -43.59 94.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.988 -178.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.621 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 34.1 p30 -46.02 -16.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.125 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.478 ' NH1' ' N ' ' B' ' 24' ' ' GLY . 99.4 mtt180 -65.45 -16.39 63.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.967 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.581 HG23 ' N ' ' B' ' 30' ' ' ARG . 21.3 tt -73.85 -48.7 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.481 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.581 ' N ' HG23 ' B' ' 29' ' ' ILE . 79.5 mtt85 -44.19 -54.92 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.953 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.9 pt -66.27 -31.6 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.726 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 18.1 ttt -62.91 -45.77 90.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.839 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -55.11 -50.74 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.647 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.36 -38.86 92.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.698 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.2 OUTLIER -66.31 -50.15 64.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 1.0 109.972 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.7 t -44.6 -15.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.197 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.5 p -162.71 75.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.548 0.69 . . . . 1.0 111.142 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 91.5 p -173.65 -165.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.478 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -171.52 114.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.013 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.98 -177.67 5.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.786 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.6 t -74.49 -176.27 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.229 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 26.2 m -86.61 -29.37 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.63 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -91.54 -53.18 2.17 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.272 -0.731 . . . . 1.0 111.272 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.569 ' N ' ' ND1' ' B' ' 44' ' ' HIS . 1.1 m-70 -42.98 -32.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 1.0 111.339 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.6 pt -77.71 -26.84 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.951 -178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.49 ' N ' ' O ' ' B' ' 43' ' ' GLY . 15.2 m -74.95 -51.38 13.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.102 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -64.28 -52.58 57.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.937 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -54.8 -46.45 74.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.135 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -76.83 8.95 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.621 -0.263 . . . . 1.0 110.82 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 61.37 56.78 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.294 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 97.3 mt -136.05 158.2 44.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.938 0.399 . . . . 1.0 110.489 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.49 ' C ' ' H ' ' B' ' 54' ' ' SER . 58.6 m -80.55 109.54 15.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.438 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.607 ' H ' ' CD ' ' B' ' 53' ' ' GLN . 5.6 pm0 -57.77 -1.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 1.0 111.183 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.49 ' H ' ' C ' ' B' ' 52' ' ' SER . 4.4 m -78.13 -44.77 25.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.707 0.289 . . . . 1.0 110.73 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -81.84 -37.95 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.941 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' B' ' 59' ' ' GLN . 96.4 t -43.64 -65.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.055 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.6 m -41.66 -35.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.494 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -76.87 -24.5 52.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.59 -0.277 . . . . 1.0 111.066 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' B' ' 56' ' ' VAL . 65.4 mt-30 -66.72 -50.54 62.47 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.81 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.96 -42.64 90.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 1.0 110.731 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -44.78 -55.4 5.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.657 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 59.2 tp -48.76 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.112 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.571 ' N ' HD12 ' B' ' 63' ' ' LEU . 9.8 mp -42.0 -56.84 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.015 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -42.28 -32.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.226 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 29.1 m -83.24 -31.69 26.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.215 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.466 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 13.1 t -77.36 -6.27 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.084 -177.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.466 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 4.1 m80 75.24 21.29 1.9 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.693 -0.23 . . . . 1.0 111.523 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 29.5 mt -89.87 -5.14 57.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.758 -0.201 . . . . 1.0 110.839 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 30.7 m -149.6 139.1 15.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.89 0.376 . . . . 1.0 110.755 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -114.65 117.55 31.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.893 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.45 121.8 32.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.087 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.422 ' N ' ' CD ' ' B' ' 72' ' ' LYS . 1.9 mptp? -89.95 138.08 31.8 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 177.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -137.79 104.58 5.33 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.98 0.419 . . . . 1.0 110.796 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.405 ' N ' ' CD ' ' B' ' 74' ' ' GLN . 4.2 mp0 -90.3 124.79 35.18 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.212 -0.662 . . . . 1.0 109.212 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.54 -103.57 0.06 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.209 -1.156 . . . . 1.0 110.209 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -124.12 88.52 2.92 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 44.2 m -171.31 107.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.539 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 69.0 mtp -86.65 121.59 29.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.845 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.01 117.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.25 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -79.55 139.46 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.035 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 7.9 t -154.21 131.76 11.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' B' ' 84' ' ' ASP . 40.8 tp -96.07 112.59 24.28 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.806 178.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -44.57 -29.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.87 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' B' ' 88' ' ' ALA . 33.7 t0 35.79 92.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.659 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.574 HG23 ' N ' ' B' ' 86' ' ' HIS . 6.4 tp -111.47 -48.98 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 110.061 -0.348 . . . . 1.0 110.061 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.574 ' N ' HG23 ' B' ' 85' ' ' ILE . 34.4 m80 -107.12 -42.81 4.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.479 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 91.3 t -45.29 -42.94 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.698 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' B' ' 84' ' ' ASP . . . -42.44 -64.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.345 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.416 ' O ' ' N ' ' B' ' 92' ' ' LYS . 70.2 p -74.23 -52.27 12.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.921 -178.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 39.0 ttm -41.72 -38.05 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.345 -0.388 . . . . 1.0 111.436 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.89 -36.61 56.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 1.0 110.234 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' B' ' 89' ' ' THR . 33.7 ttmt -63.21 -61.26 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.449 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -46.86 -37.14 8.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.584 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.76 -49.14 74.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.615 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.459 HG22 ' O ' ' B' ' 95' ' ' ILE . 93.8 mt -74.76 -7.98 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.71 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -83.12 -24.29 32.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 1.0 110.469 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.463 ' C ' ' H ' ' B' ' 99' ' ' ASN . 57.3 t-80 -60.28 -11.21 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.697 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.407 ' O ' ' CD2' ' B' ' 100' ' ' HIS . . . -72.06 41.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.479 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.463 ' H ' ' C ' ' B' ' 97' ' ' HIS . 74.2 m-20 -64.27 138.55 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.66 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' B' ' 98' ' ' ALA . 0.6 OUTLIER -177.31 59.58 0.16 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.681 -179.73 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.6 -179.48 4.89 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.702 2.268 . . . . 1.0 111.887 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -52.83 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.495 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.596 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.441 -0.578 . . . . 1.0 109.441 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.518 ' OG1' ' N ' ' A' ' 11' ' ' ASP . 3.3 t -166.62 -166.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.503 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.545 ' CG ' HH12 ' A' ' 15' ' ' ARG . 29.7 t70 -157.65 -37.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.248 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.3 m -60.38 -51.42 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.423 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -55.46 -42.81 74.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.536 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -48.34 -27.4 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.842 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.545 HH12 ' CG ' ' A' ' 11' ' ' ASP . 59.3 mmt-85 -66.53 -61.01 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.241 -178.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 p -70.51 -22.23 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 1.0 110.71 -178.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 m -73.12 -38.7 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.705 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.25 -41.9 94.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.609 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.4 mm -47.43 -65.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -50.04 -41.47 47.73 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.524 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -59.67 -52.42 65.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.769 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.33 -43.92 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.652 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 24' ' ' GLY . 3.1 tt -37.32 115.56 0.41 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.307 -178.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.495 ' N ' HD23 ' A' ' 23' ' ' LEU . . . -85.73 -148.82 11.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ASN . 6.1 m-20 -66.35 144.47 56.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 1.0 110.51 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' C ' ' H ' ' A' ' 28' ' ' ARG . 14.0 m-85 -41.45 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.285 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ASP . 87.3 m-20 -59.61 -3.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.525 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 26' ' ' TYR . 63.2 ttt-85 -67.13 -35.14 79.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.644 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.9 mm -67.91 -58.01 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.687 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -37.23 -60.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.616 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.15 -52.22 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.834 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.9 tpt -44.69 -33.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.531 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -64.83 -76.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.497 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.6 tp -55.49 -32.5 62.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.528 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' C ' ' N ' ' A' ' 37' ' ' VAL . 36.2 tp -63.89 -30.13 71.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.144 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.4 p -47.87 -16.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.288 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 37' ' ' VAL . 4.5 p -178.04 105.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.758 -0.655 . . . . 1.0 109.942 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' GLU . 99.6 p -163.36 -48.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.922 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' SER . 70.2 mm-40 51.02 97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.155 -0.313 . . . . 1.0 110.155 -178.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.423 ' O ' HG22 ' A' ' 79' ' ' ILE . . . -159.37 -177.62 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.782 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -69.27 166.73 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.596 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 t -77.15 -37.39 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.916 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.92 -62.08 1.87 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.373 -0.691 . . . . 1.0 111.373 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.579 ' N ' ' ND1' ' A' ' 44' ' ' HIS . 1.3 m-70 -42.45 -56.2 3.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.718 0.294 . . . . 1.0 111.288 -178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.0 tt -43.6 -27.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.135 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -80.05 -44.43 20.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.106 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -54.39 -56.85 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.455 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -66.1 -31.55 72.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 1.0 110.695 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.3 tp -75.02 -13.51 60.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.286 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.39 80.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.483 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.68 156.66 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.197 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 54' ' ' SER . 39.6 m -79.14 111.89 15.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.621 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.03 -1.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.592 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 52' ' ' SER . 47.7 t -72.45 -41.89 65.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.463 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' GLN . 7.9 m-80 -81.91 -33.15 30.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.721 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 59' ' ' GLN . 93.0 t -46.11 -74.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.703 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.4 t -41.26 -40.77 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.33 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -76.2 -27.78 57.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.548 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 56' ' ' VAL . 57.0 tt0 -65.3 -60.29 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.917 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.07 -36.89 73.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.697 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -44.91 -56.06 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.828 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.479 HD23 ' C ' ' A' ' 62' ' ' LEU . 2.3 tt -56.04 -64.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.508 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.7 mp -46.17 -55.45 7.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.563 -178.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.29 -26.68 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.607 -0.269 . . . . 1.0 111.176 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 p -67.94 -31.7 71.63 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.837 -0.345 . . . . 1.0 111.024 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 m -108.97 29.46 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.888 -178.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 55.72 19.41 3.38 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.741 0.645 . . . . 1.0 112.741 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.6 mt -74.26 -17.39 60.87 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.241 -0.584 . . . . 1.0 110.004 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 69' ' ' VAL . 33.6 m -151.17 129.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.203 179.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -100.45 135.14 42.35 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.646 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 157.41 18.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.306 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -154.24 143.6 21.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.958 0.408 . . . . 1.0 110.622 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.54 125.16 19.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.712 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -146.47 80.15 1.55 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.936 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.18 -29.16 1.92 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.33 -0.708 . . . . 1.0 111.33 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -82.41 -98.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.755 0.312 . . . . 1.0 110.49 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.0 t -158.99 -174.85 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.4 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 16.1 ttt -75.73 75.75 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.474 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 40' ' ' ALA . 14.8 pt -97.86 135.39 32.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.406 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -79.11 162.43 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.842 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 t -154.5 127.98 8.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.631 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.557 HD23 ' N ' ' A' ' 83' ' ' ASP . 2.6 tt -80.47 114.21 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.293 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.557 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -69.41 -58.51 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.567 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.18 78.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.613 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.9 tt -65.54 -26.12 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.751 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -51.94 -20.36 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.811 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.87 -37.38 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.762 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.45 -53.94 38.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.271 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.428 ' H ' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -70.75 -43.73 68.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.964 -178.016 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.8 tpp -55.56 -25.68 39.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.735 0.303 . . . . 1.0 110.89 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 91' ' ' LEU . 3.2 tt -73.71 -55.64 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 1.0 110.278 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -42.19 -48.89 4.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.992 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -56.64 -37.26 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.497 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -60.59 -52.29 65.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.649 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mm -60.0 -10.54 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.891 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -102.1 -7.05 22.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.775 0.321 . . . . 1.0 110.33 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' A' ' 98' ' ' ALA . 51.9 t-80 -77.42 -63.49 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.827 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 97' ' ' HIS . . . -52.91 -106.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.618 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 99' ' ' ASN . 6.8 p-10 41.91 73.68 0.13 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.197 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 53.22 71.44 1.42 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.742 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -47.16 107.8 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.713 2.275 . . . . 1.0 112.316 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -79.5 -179.87 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.636 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.957 -1.02 . . . . 1.0 110.609 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 70.8 p -76.51 111.21 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -80.46 -28.45 37.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.74 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.1 p -60.79 -48.83 80.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.554 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 16' ' ' VAL . 11.4 tp -67.94 -36.02 79.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.09 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -45.39 -44.85 12.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.748 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -53.88 -31.54 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.207 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' B' ' 13' ' ' LEU . 8.7 t -77.92 -24.78 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.434 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.4 m -74.67 -19.3 60.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.556 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -85.74 -58.12 2.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.335 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.547 HG23 ' N ' ' B' ' 20' ' ' PHE . 15.1 tt -43.66 -45.75 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.578 -0.283 . . . . 1.0 111.269 -177.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.547 ' N ' HG23 ' B' ' 19' ' ' ILE . 38.8 m-85 -70.43 -40.46 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.358 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -58.49 -28.91 65.82 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.499 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.73 -43.41 47.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.361 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 mt -52.6 146.62 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.406 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.84 -120.65 0.96 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -49.35 111.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 1.0 110.549 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -50.27 -33.39 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.888 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -61.13 -5.42 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.928 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.61 -27.12 68.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.032 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.568 HG23 ' N ' ' B' ' 30' ' ' ARG . 17.8 tt -65.19 -47.86 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.784 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.568 ' N ' HG23 ' B' ' 29' ' ' ILE . 13.7 mtp-105 -50.1 -36.78 30.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.738 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.6 mt -77.19 -60.73 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.714 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.7 mmt -45.81 -38.91 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.882 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -63.35 -41.41 98.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.757 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.07 -35.45 75.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.353 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 37' ' ' VAL . 16.3 mt -67.96 -26.1 65.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.904 -178.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -45.01 -22.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 1.0 110.744 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.438 ' O ' HG13 ' B' ' 37' ' ' VAL . 6.4 p -171.29 74.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 1.0 110.307 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.7 p -173.27 -170.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.535 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -178.31 128.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.256 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.36 -179.77 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 1.0 110.827 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.8 p -69.9 174.71 4.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.86 -17.95 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.97 -68.07 0.86 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' B' ' 46' ' ' SER . 76.2 m80 -44.19 -48.1 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 1.0 111.046 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 tt -44.19 -21.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.846 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.433 ' N ' ' O ' ' B' ' 44' ' ' HIS . 55.4 p -93.86 -41.26 9.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.932 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -60.62 -51.87 67.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.033 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -54.45 -44.97 72.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.119 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 25.8 mt -77.61 14.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.973 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 59.92 12.72 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 1.0 110.698 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.579 HD23 ' N ' ' B' ' 52' ' ' SER . 1.3 tt -83.58 139.55 32.79 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.579 ' N ' HD23 ' B' ' 51' ' ' LEU . 57.7 p -76.05 127.19 32.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.426 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 1.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.654 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.504 ' H ' ' C ' ' B' ' 52' ' ' SER . 48.5 m -71.93 -31.92 66.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.728 0.299 . . . . 1.0 110.845 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.465 ' C ' ' H ' ' B' ' 57' ' ' SER . 11.6 m120 -87.53 -45.27 10.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.24 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.43 -2.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.803 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.465 ' H ' ' C ' ' B' ' 55' ' ' ASN . 21.6 t -84.65 -64.95 1.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.055 0.455 . . . . 1.0 110.158 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.26 -5.56 52.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.978 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -59.87 -76.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 1.0 110.675 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' B' ' 80' ' ' TYR . 12.5 mt -62.42 -30.51 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.862 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -49.74 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 1.0 110.768 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.3 tp -53.99 -62.18 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.719 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.485 ' N ' HD12 ' B' ' 63' ' ' LEU . 8.2 mp -46.82 -59.05 3.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.231 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -53.48 -16.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.903 -0.319 . . . . 1.0 110.997 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -84.77 -5.99 59.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.268 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 m -133.42 27.73 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.479 0.18 . . . . 1.0 110.965 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 40.3 m80 57.11 22.12 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.887 0.699 . . . . 1.0 112.887 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -76.48 -15.23 59.95 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.424 -0.51 . . . . 1.0 110.215 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.1 m -154.88 149.72 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.457 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.481 ' CG ' ' N ' ' B' ' 71' ' ' ALA . 32.4 ttpt -106.99 164.79 11.85 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.006 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' B' ' 70' ' ' LYS . . . -153.78 118.29 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 1.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -80.63 137.83 36.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.021 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -139.4 87.22 2.17 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.212 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' B' ' 76' ' ' GLN . 9.1 tp-100 -79.84 131.16 35.82 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.782 -0.822 . . . . 1.0 108.782 174.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.31 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.169 -1.172 . . . . 1.0 110.169 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' B' ' 74' ' ' GLN . 2.5 pt20 -139.33 92.31 2.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.881 0.372 . . . . 1.0 110.199 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.5 m -165.17 113.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.37 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.1 mtp -82.98 90.71 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.994 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 mm -108.85 90.16 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.207 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.468 ' CD2' HD13 ' B' ' 60' ' ' LEU . 65.8 m-85 -71.13 137.82 49.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 1.0 110.659 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 70' ' ' LYS . 7.6 t -159.47 147.96 17.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.745 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.08 -146.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -172.4 -56.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.483 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' B' ' 84' ' ' ASP . 38.7 p-10 -70.75 97.7 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.324 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.466 ' C ' ' N ' ' B' ' 87' ' ' VAL . 14.5 tt -68.64 -41.04 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.284 -177.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.462 ' N ' HG23 ' B' ' 85' ' ' ILE . 28.2 p80 -46.82 -15.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 1.0 110.653 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.466 ' N ' ' C ' ' B' ' 85' ' ' ILE . 91.3 t -85.6 -35.85 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.631 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 85' ' ' ILE . . . -64.39 -43.3 94.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.845 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.503 HG23 ' N ' ' B' ' 90' ' ' MET . 9.4 t -70.33 -42.12 72.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.57 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' MET . . . . . 0.503 ' N ' HG23 ' B' ' 89' ' ' THR . 13.9 tpt -55.32 -27.19 45.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.607 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -68.54 -61.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.238 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -53.33 -37.05 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.548 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -55.12 -32.88 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.259 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.37 -43.03 61.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.503 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.2 mm -72.18 -4.88 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.568 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.427 ' O ' ' O ' ' B' ' 99' ' ' ASN . 52.4 t-80 -82.58 -57.91 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.588 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -48.39 -53.58 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.531 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.59 -93.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.525 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' B' ' 96' ' ' HIS . 47.8 t30 -57.82 141.11 50.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.457 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 49.86 66.46 5.57 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.427 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -43.17 -68.07 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.802 2.334 . . . . 1.0 112.505 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 tttt 51.83 86.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.522 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.972 -1.013 . . . . 1.0 110.649 -179.894 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . 11.8 t-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 9' ' ' ASN . 4.9 m -167.69 47.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.333 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 36.2 t0 -68.47 -16.02 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.505 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.3 m -60.19 -47.22 86.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.32 -37.95 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.279 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -51.26 -44.4 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.478 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -61.17 -40.14 92.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.614 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.87 -22.21 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.607 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.3 m -78.83 -25.07 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.311 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -72.81 -27.9 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.814 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.64 -47.99 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.004 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -79.56 -39.96 30.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.15 -178.323 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -59.95 -22.37 62.39 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.369 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.26 99.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.395 179.148 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.485 ' N ' HD22 ' A' ' 23' ' ' LEU . 3.5 mm? -52.14 146.64 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.843 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.27 -157.32 7.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 -179.651 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -46.08 157.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 1.0 110.776 -179.368 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -62.96 -10.87 15.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.729 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' OD1' ' NE2' ' A' ' 59' ' ' GLN . 46.0 t-20 -56.63 -38.37 72.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.549 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.1 mmt-85 -65.68 -58.59 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.95 -52.24 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.488 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -43.49 -67.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.991 -179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.51 -51.91 63.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.686 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 32' ' ' MET . 13.0 tmm? -45.2 -32.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.782 -179.491 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.36 -44.98 49.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.854 -179.3 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.547 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -57.6 -35.83 70.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.077 0.465 . . . . 1.0 110.171 -179.296 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -66.33 -61.43 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.232 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -38.99 -23.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.56 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 35' ' ' LEU . 94.9 t -82.39 -38.35 15.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.834 -179.626 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' LEU . 14.0 t -177.11 160.05 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.624 -179.565 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 39' ' ' GLU . 20.1 mp0 -82.0 155.01 25.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.505 179.648 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.01 173.05 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.466 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.2 m -72.24 169.44 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.443 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.519 HG23 ' N ' ' A' ' 43' ' ' GLY . 18.2 m -73.06 -42.95 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.194 -178.214 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.519 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -80.68 -59.55 2.47 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.418 -0.673 . . . . 1.0 111.418 -178.367 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -42.06 -58.83 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 1.0 111.14 -178.719 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 41' ' ' SER . 13.4 tt -50.07 -32.53 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.802 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m -80.59 -45.89 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.542 -177.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -64.88 -54.36 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.45 -177.181 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -59.42 -40.22 86.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.688 -178.682 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.2 tp -74.13 -4.33 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.129 -179.214 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 67.77 80.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.245 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.8 tp -159.62 151.56 20.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.191 -178.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.9 t -75.6 111.37 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.425 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -64.56 -3.72 3.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.763 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.8 p -83.99 -25.31 30.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.52 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -89.93 -43.77 10.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.178 -178.4 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 57' ' ' SER . 32.9 m -44.53 -52.0 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 121.073 -0.251 . . . . 1.0 111.05 -177.488 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.598 ' N ' HG23 ' A' ' 56' ' ' VAL . 48.0 p -41.99 -38.6 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 1.0 111.076 -179.108 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -78.15 -29.74 48.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.55 179.184 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 56' ' ' VAL . 32.7 mt-30 -65.76 -56.08 13.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.927 -179.096 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -53.13 -43.37 66.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 1.0 110.639 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -42.56 -57.75 2.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.874 -179.244 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 tp -50.34 -68.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.408 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 63' ' ' LEU . 4.0 mm? -43.54 -55.39 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.742 -179.11 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -46.84 -69.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.892 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 8.2 t -47.72 -50.22 25.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.538 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.452 ' O ' HG12 ' A' ' 66' ' ' VAL . 89.4 t -52.75 -9.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.928 -177.603 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 65' ' ' SER . 5.4 m80 76.06 17.16 2.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.481 -0.327 . . . . 1.0 111.644 177.532 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.55 -82.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 178.036 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.6 m -68.29 145.4 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.975 -178.581 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -101.72 106.5 17.53 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.154 178.514 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.75 133.7 34.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.716 -179.14 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -114.86 140.02 49.3 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.191 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -139.72 112.74 8.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.335 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -160.06 81.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.69 -65.26 0.38 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.357 -1.097 . . . . 1.0 110.357 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -164.07 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.9 m -68.95 -167.43 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.124 177.713 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.424 ' SD ' ' OH ' ' A' ' 80' ' ' TYR . 0.5 OUTLIER -142.37 105.48 4.59 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.686 -0.487 . . . . 1.0 109.686 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 mt -84.22 109.65 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.915 -177.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.424 ' OH ' ' SD ' ' A' ' 78' ' ' MET . 50.7 m-85 -75.92 142.96 41.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.495 179.279 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 m -153.67 140.68 19.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.642 -179.216 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.611 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.9 mm? -76.92 -178.25 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.14 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -160.62 -32.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.501 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -79.75 91.26 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.523 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.63 -37.27 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.721 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -51.48 -64.36 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.623 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.8 t -46.07 -48.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.885 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.61 -51.23 38.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 1.0 110.807 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.7 m -68.05 -42.72 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.363 -178.041 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.3 mmt -41.41 -40.57 1.78 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.566 -0.288 . . . . 1.0 111.531 -177.446 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.538 ' N ' HD12 ' A' ' 91' ' ' LEU . 10.5 mp -78.74 -38.63 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 1.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -52.67 -71.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.098 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -59.08 -30.21 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.353 -177.565 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.05 -47.19 53.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.957 -0.297 . . . . 1.0 111.11 -178.256 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 95' ' ' ILE . 95.5 mt -74.42 -11.7 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.894 -178.615 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.488 ' C ' ' H ' ' A' ' 98' ' ' ALA . 2.3 m-70 -82.77 -36.78 25.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.757 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -58.04 -2.82 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.839 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 96' ' ' HIS . . . -76.07 -13.02 60.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.595 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -52.16 121.99 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.743 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -59.71 149.93 69.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.937 179.601 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 102' ' ' LYS . 97.1 Cg_endo -75.3 -24.86 11.96 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 121.781 1.654 . . . . 1.0 111.988 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 101' ' ' PRO . 82.4 tttt 60.02 128.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.76 179.746 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.602 179.894 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.9 m -162.62 -39.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.63 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.73 -45.33 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.438 179.701 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -73.04 -50.92 20.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.713 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tp -44.83 -52.03 8.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 1.0 110.614 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -47.39 -42.74 22.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.792 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -64.67 -32.92 74.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.838 -179.075 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 19.9 t -61.07 -22.99 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 1.0 110.474 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.1 p -79.84 -30.91 40.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.211 178.649 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.2 -30.73 70.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.387 179.369 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 59.8 mt -71.57 -49.61 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.65 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -72.07 -39.39 69.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.724 -178.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -66.7 -7.5 21.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.515 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -70.61 -49.43 47.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.493 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.561 ' N ' HD12 ' B' ' 23' ' ' LEU . 9.5 mp -56.89 161.04 3.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.093 179.406 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.79 -155.62 7.45 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.087 -0.805 . . . . 1.0 111.087 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -50.13 165.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 1.0 110.859 -179.015 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -50.82 -46.58 59.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.666 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -55.4 -29.38 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.671 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.515 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 5.1 tpp85 -61.02 -56.33 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.774 -179.165 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 16.8 tt -77.83 -35.72 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.822 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -41.66 -42.92 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.242 -179.074 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mm -58.68 -50.49 78.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.557 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.495 ' SD ' ' OG ' ' B' ' 36' ' ' SER . 12.0 tmm? -49.2 -41.35 36.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.923 -179.047 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.04 -43.22 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.824 -179.177 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.683 ' C ' HD13 ' B' ' 34' ' ' LEU . 2.7 tm? -73.95 -41.14 62.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.227 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 35' ' ' LEU . 0.9 OUTLIER -61.22 -45.66 93.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.194 0.521 . . . . 1.0 109.82 178.203 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.495 ' OG ' ' SD ' ' B' ' 32' ' ' MET . 74.9 m -46.08 -23.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.556 178.811 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 38' ' ' SER . 41.8 t -108.66 88.58 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.466 179.472 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.428 ' O ' ' O ' ' B' ' 37' ' ' VAL . 20.9 t 57.31 154.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.125 178.572 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 39' ' ' GLU . 5.3 mp0 -93.35 170.58 9.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.616 179.533 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.75 -177.37 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.331 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -60.0 161.6 6.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 1.0 109.87 177.355 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 t -77.66 -31.23 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.801 -0.359 . . . . 1.0 110.955 -178.575 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.66 -53.24 3.1 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.434 -0.667 . . . . 1.0 111.434 -178.407 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -40.19 -53.72 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.734 0.302 . . . . 1.0 111.478 -178.039 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 67.2 mt -51.52 -29.55 9.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.902 -178.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -69.98 -71.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.922 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.472 ' NE2' ' CD ' ' B' ' 53' ' ' GLN . 53.0 m80 -52.49 -49.98 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.137 -178.343 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -47.75 -58.24 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.091 -178.226 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.553 HD12 ' N ' ' B' ' 49' ' ' LEU . 10.3 mp -79.61 13.15 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.236 -177.318 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 60.92 67.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.988 -0.285 . . . . 1.0 111.415 177.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -134.52 149.08 50.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.011 177.625 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -79.53 120.83 24.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.554 179.479 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.572 ' H ' ' CD ' ' B' ' 53' ' ' GLN . 3.3 mp0 -63.5 -2.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.05 -178.812 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 27.8 t -83.93 -20.44 32.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.956 -179.066 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -104.47 -31.66 9.37 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.407 -177.794 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.643 HG13 ' N ' ' B' ' 57' ' ' SER . 14.6 p -48.13 -56.25 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.694 -0.402 . . . . 1.0 110.971 -176.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.643 ' N ' HG13 ' B' ' 56' ' ' VAL . 75.8 p -39.68 -57.7 1.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.718 0.294 . . . . 1.0 111.536 -178.05 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -58.94 -27.88 65.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.823 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.4 OUTLIER -62.71 -67.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.741 -178.254 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.25 -41.91 80.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.037 -178.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -42.95 -55.77 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.103 -178.655 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.473 ' C ' HD23 ' B' ' 62' ' ' LEU . 3.2 tt -54.01 -64.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.409 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.537 ' N ' HD12 ' B' ' 63' ' ' LEU . 9.8 mp -47.04 -57.42 5.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.767 -179.152 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -55.28 -27.36 46.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.323 -177.513 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.43 ' C ' ' H ' ' B' ' 67' ' ' HIS . 27.1 p -76.66 -46.88 24.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.821 0.304 . . . . 1.0 111.821 -176.773 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.7 13.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.788 -0.365 . . . . 1.0 111.839 -175.424 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' B' ' 65' ' ' SER . 7.9 t-80 68.05 16.61 9.51 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.932 0.345 . . . . 1.0 111.932 176.632 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.481 HD23 ' C ' ' B' ' 68' ' ' LEU . 2.3 tt -83.33 -73.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 177.568 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.09 138.8 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 1.0 111.305 -178.61 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -109.35 162.92 13.88 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.939 -0.573 . . . . 1.0 109.734 178.101 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -158.38 137.05 11.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.926 0.393 . . . . 1.0 111.116 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -85.74 135.47 33.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.256 178.389 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -81.11 140.34 35.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.255 -178.638 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.508 ' C ' ' H ' ' B' ' 76' ' ' GLN . 82.4 mm-40 -136.68 158.79 43.63 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.076 179.377 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.54 0.29 Allowed Glycine 0 CA--C 1.527 0.783 0 C-N-CA 121.356 -0.449 . . . . 1.0 112.04 -177.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' B' ' 74' ' ' GLN . 1.0 OUTLIER -170.47 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.048 0.424 . . . . 1.0 110.999 179.264 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.7 t -85.9 -167.27 1.79 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 1.0 110.827 -178.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 51.5 mtt -150.09 107.94 3.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.818 179.268 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.675 ' N ' HD12 ' B' ' 79' ' ' ILE . 1.5 mp -82.6 97.29 4.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.478 -177.109 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -70.77 139.14 50.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.375 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.8 t -152.69 145.89 24.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.82 -178.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.541 HD23 ' H ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -90.38 118.95 30.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.936 179.62 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -78.87 -57.3 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.589 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.23 93.86 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.586 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' B' ' 88' ' ' ALA . 16.2 tt -65.8 -15.43 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.596 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -58.38 -53.78 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.809 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.4 t -54.1 -37.3 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.661 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 85' ' ' ILE . . . -53.25 -47.84 68.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.669 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 52.1 p -66.49 -42.23 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.846 -179.436 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.6 tpt -39.92 -41.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.507 -178.331 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.563 HD22 ' N ' ' B' ' 91' ' ' LEU . 3.1 mm? -76.8 -61.02 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 1.0 110.234 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -39.91 -60.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.513 -178.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -61.88 -28.89 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.341 -0.391 . . . . 1.0 111.291 -178.377 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.05 -54.58 6.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.276 -177.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.0 pt -72.7 -5.42 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.931 -0.308 . . . . 1.0 111.058 -177.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -89.97 -30.53 17.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 1.0 110.494 179.108 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' B' ' 99' ' ' ASN . 85.4 t60 -73.48 -23.98 60.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.654 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.38 68.75 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.633 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' B' ' 100' ' ' HIS . 30.3 t-20 -80.57 -162.0 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.426 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.492 ' H ' ' CG ' ' B' ' 99' ' ' ASN . 77.8 t60 -172.59 63.36 0.32 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.538 -0.301 . . . . 1.0 110.714 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.02 -47.65 0.16 Allowed 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.513 2.142 . . . . 1.0 111.95 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -154.68 -78.66 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.296 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.55 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.337 . . . . 3.55 110.576 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -46.36 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 2.43 110.638 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.666 HD21 HG21 ' B' ' 29' ' ' ILE . 2.9 mt -67.68 -48.75 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 1.94 110.624 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -39.45 -33.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 2.63 110.598 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 15' ' ' ARG . 2.0 mmm-85 -64.96 -63.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 4.35 110.617 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -49.06 -24.81 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 1.67 110.586 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.608 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -74.53 -34.54 63.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.54 110.596 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.62 -39.73 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 2.65 110.595 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.75 -66.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.5 110.571 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -53.21 -38.93 63.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.1 110.634 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' A' ' 17' ' ' THR . 17.1 tttm -62.32 -35.92 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 2.93 110.619 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.3 -45.14 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.12 110.606 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.7 mt -49.75 158.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 1.88 110.582 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.99 -100.05 0.17 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.877 -0.889 . . . . 1.85 110.877 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.639 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 78.9 m-20 -80.91 153.24 27.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.318 . . . . 2.9 110.622 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.756 ' HD2' ' CG2' ' B' ' 17' ' ' THR . 0.5 OUTLIER -68.04 -51.31 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 4.3 110.602 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' TYR . 84.1 m-20 -37.65 -21.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 2.46 110.619 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 1.026 ' NE ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.44 -63.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 4.97 110.62 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mt -44.66 -48.02 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.53 110.604 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -49.13 -66.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 3.43 110.605 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.67 HD12 ' OE1' ' A' ' 59' ' ' GLN . 11.7 mt -47.55 -46.32 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 1.74 110.592 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.69 -40.19 65.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 2.13 110.585 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.21 -56.31 23.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 2.62 110.583 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 34' ' ' LEU . 11.7 tp -64.39 -30.89 71.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 1.69 110.543 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.476 ' HA ' HD22 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -76.53 -16.92 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 1.82 110.606 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.94 15.32 17.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 1.9 110.63 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.4 t -135.26 -67.44 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 2.56 110.606 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.55 152.68 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 2.94 110.578 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.5 127.91 55.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 2.97 110.607 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.64 -175.17 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.91 110.617 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.589 ' OG ' ' N ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -70.19 -177.92 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 1.54 110.604 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.589 ' N ' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -75.76 -44.2 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.8 110.632 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.78 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -74.23 -72.97 0.96 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.892 -0.883 . . . . 0.86 110.892 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.604 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER -21.77 -54.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 2.78 110.603 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.815 ' O ' ' HB2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -57.42 -42.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.67 110.616 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.78 ' N ' ' O ' ' A' ' 43' ' ' GLY . 1.8 t -71.02 -44.59 65.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 1.94 110.629 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -62.69 -71.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 3.21 110.622 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.423 ' C ' ' H ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -50.12 -43.64 51.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 2.52 110.555 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.815 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -78.52 32.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 2.06 110.582 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.551 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.2 m-20 26.13 77.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 2.62 110.592 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.554 ' O ' ' OG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -154.1 141.28 19.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 1.67 110.618 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 54' ' ' SER . 68.1 m -73.68 104.8 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.61 110.631 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 1.071 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 4.7 pt20 -44.35 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 2.78 110.589 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -54.34 -38.41 66.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 2.01 110.62 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.514 ' O ' ' N ' ' A' ' 59' ' ' GLN . 31.9 m-20 -80.88 -47.13 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 2.57 110.561 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.071 ' CG2' ' HA ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -39.1 -81.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.39 110.625 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' VAL . 0.6 OUTLIER -36.04 -36.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.53 110.627 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 56' ' ' VAL . 3.0 t-80 -77.41 -32.91 55.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 3.24 110.593 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.67 ' OE1' HD12 ' A' ' 31' ' ' ILE . 5.7 tt0 -64.78 -75.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 2.16 110.63 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.634 HD13 ' CE2' ' A' ' 80' ' ' TYR . 5.3 mt -34.41 -47.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.82 110.618 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 60' ' ' LEU . 21.2 tttm -36.21 -62.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 2.3 110.578 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.555 ' O ' ' C ' ' A' ' 63' ' ' LEU . 55.9 tp -52.7 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 1.44 110.615 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.026 HD11 ' NE ' ' A' ' 28' ' ' ARG . 10.6 mp -26.87 -60.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 1.74 110.632 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.852 ' HE3' ' HB2' ' A' ' 71' ' ' ALA . 23.9 tttt -41.41 -57.63 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 2.52 110.615 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . 13.4 t -59.13 -22.66 61.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 1.67 110.614 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.922 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 3.2 t -79.81 -19.92 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.29 110.582 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.922 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER 88.45 3.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 3.38 110.603 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.466 ' HA ' HD23 ' A' ' 68' ' ' LEU . 19.1 mt -67.58 -50.48 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.82 110.639 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -108.3 160.83 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 1.43 110.591 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.678 ' HE2' ' CG ' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -129.94 118.29 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 2.97 110.59 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.852 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -76.78 160.5 29.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 1.18 110.607 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -141.15 133.23 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 3.27 110.605 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.466 ' HD3' HH11 ' A' ' 73' ' ' ARG . 2.1 mtp180 -109.9 132.93 53.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 4.53 110.592 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -164.43 98.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 3.39 110.625 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.39 -80.52 0.53 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.893 -0.883 . . . . 3.14 110.893 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.49 ' HB3' ' H ' ' A' ' 77' ' ' SER . 1.2 tt0 -140.23 -93.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 5.15 110.639 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.49 ' H ' ' HB3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -54.62 157.14 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 2.59 110.606 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.472 ' HG3' ' H ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -105.7 120.24 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 2.62 110.628 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.6 mt -94.71 117.45 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 1.34 110.571 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.644 ' HD1' ' H ' ' A' ' 80' ' ' TYR . 2.4 m-85 -74.01 164.39 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 3.15 110.629 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.62 142.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 1.64 110.566 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.63 HD23 HG12 ' A' ' 69' ' ' VAL . 24.0 mt -71.38 168.63 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.94 110.65 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.678 ' CG ' ' HE2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -129.6 -35.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 2.6 110.568 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.718 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -95.44 89.62 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 2.23 110.597 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.5 pt -52.92 -13.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 2.62 110.6 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.06 -59.62 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 3.37 110.623 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.418 ' H ' HG23 ' A' ' 87' ' ' VAL . 19.1 t -49.8 -45.49 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 1.6 110.549 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.13 -49.19 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.98 110.619 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -42.36 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.79 110.551 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -50.43 64.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 2.76 110.59 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -47.64 82.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 1.74 110.622 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 1.7 tttt -52.85 -39.55 62.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 3.0 110.612 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.92 -43.06 89.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 3.01 110.592 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.78 -48.66 79.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 1.02 110.577 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -73.19 -29.52 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 1.78 110.623 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.577 ' HB2' ' O ' ' A' ' 92' ' ' LYS . 0.7 OUTLIER -71.02 -28.13 64.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 2.88 110.605 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 3.14 110.58 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.755 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.779 0.323 . . . . 2.75 110.59 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.501 ' O ' ' HB2' ' B' ' 15' ' ' ARG . 0.6 OUTLIER -59.42 -67.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 2.15 110.605 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.38 -48.2 74.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 1.65 110.635 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -45.04 -37.66 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 2.58 110.642 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.1 mtm-85 -61.8 -60.62 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 3.9 110.578 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.449 HG23 ' H ' ' B' ' 16' ' ' VAL . 0.2 OUTLIER -50.17 -15.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 1.58 110.626 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.756 ' CG2' ' HD2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -85.5 -21.31 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 1.61 110.618 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.59 -42.02 44.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 2.48 110.607 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.23 -63.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 1.7 110.57 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.461 ' HA ' HD12 ' B' ' 23' ' ' LEU . 61.5 m-85 -55.92 -39.29 71.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.602 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' B' ' 17' ' ' THR . 23.6 tttm -59.89 -39.59 85.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 3.27 110.613 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.402 ' CB ' HG11 ' B' ' 66' ' ' VAL . . . -51.26 -41.52 60.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.613 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.638 ' HA ' ' NH1' ' B' ' 28' ' ' ARG . 13.8 mt -53.9 150.68 7.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 1.82 110.608 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.26 -104.2 0.27 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.911 -0.876 . . . . 1.92 110.911 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.714 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 0.1 OUTLIER -74.09 144.56 44.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 2.75 110.57 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 1.122 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER -66.01 -50.19 65.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 4.19 110.639 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' B' ' 30' ' ' ARG . 6.7 m-20 -38.78 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 2.91 110.613 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.638 ' NH1' ' HA ' ' B' ' 23' ' ' LEU . 22.2 ttm180 -50.47 -50.88 51.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 5.03 110.595 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.666 HG21 HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -51.5 -40.68 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 1.54 110.628 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 0.5 OUTLIER -51.37 -60.9 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 3.19 110.59 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.514 HD11 ' NE2' ' B' ' 59' ' ' GLN . 0.8 OUTLIER -52.53 -44.88 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 1.61 110.577 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.18 -44.67 68.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 2.31 110.597 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.94 -55.39 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 2.33 110.607 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' B' ' 38' ' ' SER . 16.7 tp -60.06 -34.83 73.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 1.6 110.605 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.528 ' HA ' HD22 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -67.03 -38.58 86.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 1.66 110.638 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -31.05 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 1.87 110.618 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.927 HG13 ' O ' ' B' ' 37' ' ' VAL . 1.9 p -146.52 95.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 2.25 110.637 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.692 ' CB ' ' O ' ' B' ' 37' ' ' VAL . 5.9 t 144.84 178.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 2.63 110.581 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.496 ' N ' ' OG ' ' B' ' 38' ' ' SER . 9.6 pt-20 -170.63 119.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 2.51 110.6 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.04 -172.31 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.83 110.562 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.539 ' OG ' ' N ' ' B' ' 42' ' ' VAL . 5.6 t -73.94 -178.51 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 1.46 110.569 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.628 ' O ' HG22 ' B' ' 45' ' ' ILE . 3.6 t -75.82 -47.88 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 1.75 110.619 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.609 ' C ' ' HG ' ' B' ' 46' ' ' SER . . . -75.7 -58.91 3.65 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.866 -0.893 . . . . 0.86 110.866 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.505 ' C ' ' O ' ' B' ' 43' ' ' GLY . 0.3 OUTLIER -31.82 -61.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 2.82 110.586 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.628 HG22 ' O ' ' B' ' 42' ' ' VAL . 17.0 tt -46.97 -40.79 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 1.71 110.608 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.609 ' HG ' ' C ' ' B' ' 43' ' ' GLY . 0.0 OUTLIER -68.94 -69.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 1.44 110.579 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' B' ' 46' ' ' SER . 0.0 OUTLIER -35.73 -66.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 3.08 110.587 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.767 ' C ' ' H ' ' B' ' 50' ' ' ASN . 6.8 mt-30 -45.34 -68.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 2.6 110.585 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' B' ' 51' ' ' LEU . 75.1 mt -56.81 18.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 2.02 110.559 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.767 ' H ' ' C ' ' B' ' 48' ' ' GLN . 58.1 m-20 42.84 62.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 2.33 110.636 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 49' ' ' LEU . 72.0 mt -128.28 146.93 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 1.45 110.627 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.519 ' OG ' ' HB2' ' B' ' 54' ' ' SER . 3.5 t -81.48 109.33 15.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.57 110.566 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -46.08 -20.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 2.64 110.607 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.519 ' HB2' ' OG ' ' B' ' 52' ' ' SER . 0.2 OUTLIER -56.93 -39.69 74.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 1.92 110.622 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.535 ' O ' ' C ' ' B' ' 56' ' ' VAL . 53.1 m-20 -86.5 -56.32 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 2.38 110.602 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 1.04 HG12 ' N ' ' B' ' 57' ' ' SER . 1.0 OUTLIER -28.49 -78.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.7 110.616 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 1.04 ' N ' HG12 ' B' ' 56' ' ' VAL . 0.2 OUTLIER -33.5 -47.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 1.92 110.621 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . 0.591 ' O ' ' HB2' ' B' ' 61' ' ' LYS . 0.1 OUTLIER -61.74 -50.39 72.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 3.17 110.56 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.612 ' O ' ' C ' ' B' ' 60' ' ' LEU . 1.0 OUTLIER -48.07 -84.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 2.29 110.647 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.93 HD13 ' CE2' ' B' ' 80' ' ' TYR . 9.9 mt -20.47 -55.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.89 110.62 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' B' ' 58' ' ' HIS . 3.2 mttm -35.37 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 2.94 110.573 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.685 ' O ' ' N ' ' B' ' 65' ' ' SER . 1.2 tp -35.32 -84.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 1.5 110.611 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.82 HD12 ' H ' ' B' ' 63' ' ' LEU . 6.6 mp -27.87 -58.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.71 110.634 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -49.94 -40.03 42.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 2.46 110.583 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.685 ' N ' ' O ' ' B' ' 62' ' ' LEU . 0.0 OUTLIER -77.13 -7.42 55.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 1.74 110.591 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.739 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 3.1 t -95.55 -12.08 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 1.27 110.652 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.739 ' HB2' ' O ' ' B' ' 66' ' ' VAL . 0.0 OUTLIER 84.79 6.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 3.2 110.623 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' B' ' 68' ' ' LEU . 88.8 mt -76.57 -53.77 7.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 1.56 110.607 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.807 ' CG2' ' HB3' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -101.45 163.82 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 1.47 110.596 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.402 ' HD3' ' OD2' ' B' ' 83' ' ' ASP . 19.4 tttt -136.25 135.76 39.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 2.65 110.63 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -101.54 157.82 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 1.36 110.611 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -142.91 132.48 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 3.41 110.584 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -95.29 142.26 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 4.74 110.616 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -156.57 91.29 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 4.12 110.581 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.95 -68.99 2.46 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.883 -0.887 . . . . 3.22 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -149.67 -82.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.329 . . . . 5.09 110.636 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.44 152.8 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 2.55 110.592 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.65 129.48 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 2.99 110.581 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 8.5 mt -109.45 117.78 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 1.59 110.649 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.93 ' CE2' HD13 ' B' ' 60' ' ' LEU . 2.0 m-85 -70.67 -174.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 3.81 110.604 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' B' ' 80' ' ' TYR . 0.6 OUTLIER 153.39 144.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 1.47 110.549 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.879 HD23 ' N ' ' B' ' 82' ' ' LEU . 1.0 OUTLIER -78.14 155.97 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 2.19 110.608 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.402 ' OD2' ' HD3' ' B' ' 70' ' ' LYS . 0.2 OUTLIER -122.23 -14.98 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 2.66 110.584 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -112.32 90.33 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 3.05 110.641 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 4.3 pt -54.46 -18.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 2.83 110.621 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -49.45 -59.71 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 3.24 110.599 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 94.2 t -55.92 -40.05 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 1.58 110.578 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.24 -53.11 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.17 110.543 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 28.5 p -68.52 -41.01 80.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 2.04 110.611 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 6.9 ttt -54.16 -44.39 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 2.71 110.543 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.58 -42.66 98.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 1.86 110.55 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -60.35 -42.67 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 3.09 110.6 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -61.17 -39.31 89.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 2.7 110.636 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.29 88.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.21 110.597 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 78.9 mt -76.71 -33.04 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 1.9 110.564 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -62.3 -31.57 72.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 3.05 110.613 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 3.69 110.586 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.761 0.315 . . . . 1.0 110.412 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 13' ' ' LEU . 11.3 t -73.65 -43.57 59.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.535 ' N ' HG23 ' A' ' 12' ' ' THR . 0.2 OUTLIER -48.71 -51.05 30.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -47.87 -43.06 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.507 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -56.39 -41.61 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.441 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 t -65.63 -23.47 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.377 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.0 m -84.2 -14.32 50.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.203 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -77.85 -39.66 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.59 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 pt -63.8 -38.14 81.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.534 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -74.57 -42.26 59.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.21 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.514 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 2.5 ttmp? -62.35 -33.99 75.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.664 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -44.19 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.6 mt -45.67 145.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.73 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.97 160.97 34.71 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 59.51 165.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 1.0 110.73 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' C ' ' H ' ' A' ' 28' ' ' ARG . 19.4 m-85 -100.3 -47.14 5.04 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.284 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.547 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.5 m120 -62.83 3.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.626 -0.715 . . . . 1.0 111.29 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 26' ' ' TYR . 62.9 ttt-85 -70.67 -18.54 62.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.795 0.331 . . . . 1.0 110.536 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.4 mt -83.15 -67.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.033 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -52.1 -46.19 65.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.36 -177.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.515 HG23 ' N ' ' A' ' 32' ' ' MET . 7.3 tt -52.53 -45.18 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.748 -0.381 . . . . 1.0 110.518 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.515 ' N ' HG23 ' A' ' 31' ' ' ILE . 20.6 mmt -63.13 -33.93 76.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.513 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -51.34 -68.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.813 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.6 tp -60.18 -35.13 74.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.992 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -67.17 -35.7 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.093 0.473 . . . . 1.0 109.769 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.6 t -55.58 -18.6 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.625 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.99 71.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.143 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 t -173.44 162.58 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 1.0 110.983 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 18.0 mp0 -143.84 114.3 7.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.737 -0.665 . . . . 1.0 109.682 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.6 -177.52 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 1.0 110.886 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 t -75.38 -179.28 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.454 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -83.68 -35.13 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.767 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.3 -40.11 8.07 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.107 -0.797 . . . . 1.0 111.107 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -49.9 -46.9 52.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.653 0.263 . . . . 1.0 111.089 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.6 pt -69.08 -25.78 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.98 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.6 t -67.78 -76.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.328 . . . . 1.0 110.919 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -49.23 -47.2 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.172 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -49.08 -55.8 11.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.13 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.78 13.45 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.203 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.98 62.72 1.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.78 0.324 . . . . 1.0 110.817 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.5 mt -134.2 147.72 50.78 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.081 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 54' ' ' SER . 48.9 m -77.94 107.56 10.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.188 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -61.75 -2.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.05 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 52' ' ' SER . 52.1 m -80.56 -16.76 53.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.783 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 56' ' ' VAL . 18.9 p30 -105.06 -31.96 8.94 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.487 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.645 HG23 ' N ' ' A' ' 57' ' ' SER . 19.9 m -56.75 -58.87 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.405 -0.518 . . . . 1.0 110.972 -176.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.645 ' N ' HG23 ' A' ' 56' ' ' VAL . 58.3 m -42.95 -42.27 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.803 0.335 . . . . 1.0 111.111 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.77 -26.77 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.449 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' VAL . 22.6 tt0 -68.28 -50.96 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.816 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.8 -42.14 83.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 1.0 110.596 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 61' ' ' LYS . 10.6 ttmm -45.2 -54.74 6.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.892 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.8 tp -52.17 -72.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.305 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.0 mp -41.99 -56.15 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.873 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.606 ' HZ1' ' H ' ' A' ' 71' ' ' ALA . 41.1 tptt -45.09 -30.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.845 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 m -80.97 -32.2 34.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.226 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.83 0.84 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.033 -0.267 . . . . 1.0 110.951 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.4 t60 65.43 16.1 10.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.711 -0.222 . . . . 1.0 111.573 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.8 mt -92.77 -6.02 49.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.714 0.292 . . . . 1.0 110.4 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.6 t -149.89 142.18 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.634 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 81' ' ' SER . 32.2 ttpt -133.63 166.54 22.36 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.884 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.606 ' H ' ' HZ1' ' A' ' 64' ' ' LYS . . . -143.29 131.79 22.31 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.893 0.378 . . . . 1.0 110.577 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -82.12 142.28 32.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.708 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -100.58 103.66 14.97 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.218 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -109.41 103.03 11.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.141 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -129.69 39.1 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.17 -39.37 15.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.85 0.357 . . . . 1.0 110.38 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 78' ' ' MET . 42.9 t -69.41 -167.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.993 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.476 ' N ' ' OG ' ' A' ' 77' ' ' SER . 20.5 ptt? -165.38 154.43 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.472 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.7 mt -145.93 116.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.292 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -77.16 155.39 32.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.756 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 70' ' ' LYS . 78.4 p -170.23 156.66 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.617 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 83' ' ' ASP . 2.5 tp -74.28 -157.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 82' ' ' LEU . 5.1 m-20 -160.67 -66.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 1.0 110.559 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 7.2 p-10 -69.61 99.2 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.732 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.1 tt -61.59 -9.48 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.426 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -59.23 -55.06 39.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.264 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 88' ' ' ALA . 7.9 p -67.52 -44.95 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.153 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.535 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -41.88 -61.64 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 1.0 111.243 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 90' ' ' MET . 5.7 t -64.14 -41.71 97.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.64 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.464 ' N ' HG23 ' A' ' 89' ' ' THR . 24.1 ttt -45.04 -32.36 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.815 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.495 ' C ' HD23 ' A' ' 91' ' ' LEU . 3.7 tt -72.4 -61.05 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 1.0 109.999 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -53.95 -31.9 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.546 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.04 -28.68 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.276 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.58 70.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.27 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 95' ' ' ILE . 96.1 mt -89.29 -8.52 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.427 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -82.54 -39.4 22.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.75 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.712 -179.292 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 4.0 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 1.0 110.574 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 56.5 p -63.64 -56.08 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.754 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.35 -35.28 77.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.493 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.79 -25.57 41.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.862 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -66.43 -56.19 12.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.788 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.66 -16.05 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.482 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.3 m -72.6 -33.47 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.215 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.17 -36.73 80.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.488 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.5 mt -54.9 -58.14 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -64.55 -44.16 91.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.785 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -54.0 -23.76 14.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.571 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.31 90.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.596 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 mt -54.64 146.97 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.37 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.33 -75.9 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.95 170.13 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 1.0 110.749 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.402 ' C ' ' H ' ' B' ' 28' ' ' ARG . 27.8 m-85 -99.75 -44.39 6.11 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.044 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -68.3 3.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' B' ' 26' ' ' TYR . 66.4 ttp85 -57.9 -45.82 85.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.698 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.503 HG23 ' N ' ' B' ' 30' ' ' ARG . 13.2 tt -68.62 -45.07 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.665 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.503 ' N ' HG23 ' B' ' 29' ' ' ILE . 22.2 mmt85 -43.41 -62.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.056 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.5 pt -61.82 -35.65 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.011 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' B' ' 32' ' ' MET . 1.3 tmt? -59.77 -49.09 79.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.602 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -49.38 -57.31 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.763 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 tp -56.49 -34.19 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.992 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.53 ' O ' HD23 ' B' ' 35' ' ' LEU . 0.8 OUTLIER -69.37 -34.67 74.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.99 0.424 . . . . 1.0 110.216 -178.187 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.8 m -46.16 -14.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.941 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' B' ' 35' ' ' LEU . 4.2 p -172.53 84.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.353 0.597 . . . . 1.0 110.511 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 39.1 m -169.83 -172.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.861 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -173.67 111.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.172 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.2 -177.15 5.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.684 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.1 t -77.67 -172.72 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.567 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 38.4 t -86.95 -39.72 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.736 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -82.77 -11.15 82.11 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.29 -0.724 . . . . 1.0 111.29 -178.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -73.11 -69.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 1.0 110.896 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.53 -24.71 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.971 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 58.5 p -66.94 -78.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.015 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -53.86 -46.62 71.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.944 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -42.31 -60.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.455 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.06 22.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.486 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 57.4 66.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 1.0 110.84 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -133.55 145.11 49.81 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.483 ' C ' ' H ' ' B' ' 54' ' ' SER . 88.7 p -82.61 133.07 35.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.326 . . . . 1.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -67.25 8.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.922 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.483 ' H ' ' C ' ' B' ' 52' ' ' SER . 52.7 p -73.99 -50.34 20.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 1.0 110.541 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' B' ' 57' ' ' SER . 7.1 m120 -73.92 -33.49 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.468 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.46 ' O ' HG12 ' B' ' 56' ' ' VAL . 31.9 t -55.1 -2.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.624 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' B' ' 58' ' ' HIS . 32.0 p -89.51 -60.42 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.062 0.458 . . . . 1.0 110.039 176.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . 0.477 ' N ' ' OG ' ' B' ' 57' ' ' SER . 27.5 t-80 -79.08 -10.06 59.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.924 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -61.8 -78.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.42 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.68 -38.46 67.0 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.974 -0.29 . . . . 1.0 110.948 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -45.08 -61.01 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.819 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.13 -66.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.558 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.473 HD12 ' N ' ' B' ' 63' ' ' LEU . 8.8 mp -41.42 -56.95 2.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.928 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -55.22 -24.4 27.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.49 -0.323 . . . . 1.0 111.287 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.489 ' C ' ' H ' ' B' ' 67' ' ' HIS . 6.9 m -81.86 -51.69 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.615 -0.266 . . . . 1.0 111.463 -177.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.452 ' H ' HG22 ' B' ' 66' ' ' VAL . 3.7 m -65.44 10.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.975 -0.29 . . . . 1.0 111.504 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' B' ' 65' ' ' SER . 6.6 t-80 64.81 15.67 9.98 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.044 0.387 . . . . 1.0 112.044 176.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 64.8 mt -91.58 -3.72 56.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.577 0.227 . . . . 1.0 110.601 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.405 HG12 ' N ' ' B' ' 70' ' ' LYS . 83.8 t -154.31 152.69 9.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.877 0.37 . . . . 1.0 110.395 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.405 ' N ' HG12 ' B' ' 69' ' ' VAL . 88.8 mttt -137.61 -176.39 4.39 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.884 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -165.64 147.26 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.595 -0.442 . . . . 1.0 111.433 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -89.14 136.63 32.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.202 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -135.49 87.15 2.3 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.146 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -160.25 64.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.153 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 151.34 90.45 0.08 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.555 -1.018 . . . . 1.0 110.555 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 42.26 -87.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 1.0 111.761 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 75' ' ' GLY . 81.0 p -64.76 -167.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.401 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.427 ' C ' HD12 ' B' ' 79' ' ' ILE . 4.9 ttt -148.58 107.29 3.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 1.0 109.606 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.723 HD12 ' N ' ' B' ' 79' ' ' ILE . 1.6 mp -92.62 103.75 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.616 -176.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -63.37 157.86 22.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 1.0 110.526 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 58.0 m -160.85 -169.43 2.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.516 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.515 HD23 ' N ' ' B' ' 83' ' ' ASP . 1.1 tt -151.43 114.4 4.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.913 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.515 ' N ' HD23 ' B' ' 82' ' ' LEU . 6.7 m-20 -67.45 -59.11 3.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.478 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 84' ' ' ASP . 1.2 m-20 -44.46 139.7 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 1.0 111.008 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -111.25 -21.75 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.448 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -73.15 -35.59 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.535 HG13 ' N ' ' B' ' 88' ' ' ALA . 10.5 p -62.14 -44.62 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.582 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.535 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -56.38 -46.46 80.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.84 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 65.5 p -71.99 -45.69 60.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.4 ttt -46.49 -31.53 2.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.467 ' C ' HD23 ' B' ' 91' ' ' LEU . 3.3 tt -73.0 -59.73 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.01 -0.367 . . . . 1.0 110.01 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -51.63 -30.17 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.443 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.48 -31.63 72.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.359 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.11 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.366 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.45 ' O ' HG22 ' B' ' 95' ' ' ILE . 89.0 mt -73.15 -9.77 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.438 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -79.41 -36.46 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.59 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 6.5 t60 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.419 -179.756 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.525 ' N ' ' OE1' ' A' ' 14' ' ' GLU . 22.5 p-10 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.71 0.29 . . . . 1.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 p -82.82 -60.58 2.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.984 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.16 -26.41 62.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.855 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 11' ' ' ASP . 12.4 mp0 -58.53 -14.86 9.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.596 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -79.47 -61.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.497 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.526 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 35.8 m -62.37 -16.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.508 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -72.14 -47.61 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.619 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -56.88 -33.83 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.733 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 19' ' ' ILE . 17.7 mt -59.99 -63.52 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.876 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 24.8 m-85 -56.5 -43.02 79.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.012 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -54.7 -37.59 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.384 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.77 73.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.723 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.96 159.83 27.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 1.0 110.555 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.622 ' N ' ' NH1' ' A' ' 28' ' ' ARG . . . -173.72 -82.08 0.05 OUTLIER Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 27' ' ' ASN . 62.4 t0 -73.24 114.8 11.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.84 0.352 . . . . 1.0 110.424 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -61.0 0.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.993 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' A' ' 25' ' ' ASP . 14.7 t30 -85.99 -12.23 50.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 1.0 110.598 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.622 ' NH1' ' N ' ' A' ' 24' ' ' GLY . 96.4 mtt180 -65.5 -54.08 33.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.984 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.548 HG23 ' N ' ' A' ' 30' ' ' ARG . 16.9 tt -45.24 -47.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.623 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.548 ' N ' HG23 ' A' ' 29' ' ' ILE . 63.0 ttt180 -42.03 -72.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.323 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 pt -61.03 -38.28 79.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.922 -178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.3 ttt -48.52 -45.3 37.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 1.0 110.475 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -60.42 -42.49 96.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.724 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -53.05 -34.81 58.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.973 0.416 . . . . 1.0 110.032 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.68 -37.62 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.418 . . . . 1.0 109.996 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 t -74.18 3.01 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.258 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.8 t -134.33 70.49 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.274 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m 63.58 113.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.946 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -66.93 170.84 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.656 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -177.59 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.528 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.424 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 8.9 p -64.28 165.18 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.386 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 43' ' ' GLY . 11.8 m -75.77 -37.03 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.27 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 46' ' ' SER . . . -80.66 -72.24 1.23 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.579 -0.609 . . . . 1.0 111.579 -178.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -39.11 -53.87 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.626 0.25 . . . . 1.0 111.56 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' A' ' 41' ' ' SER . 17.8 tt -45.37 -33.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.826 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.426 ' OG ' ' OE1' ' A' ' 53' ' ' GLN . 55.0 p -81.79 -55.86 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.16 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -48.53 -50.24 32.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.025 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.46 -51.29 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.81 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -70.4 0.7 6.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.056 -178.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 62.23 77.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.765 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.6 tp -148.05 147.18 29.29 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.875 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 54' ' ' SER . 16.9 m -80.46 123.19 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.913 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' OE1' ' OG ' ' A' ' 46' ' ' SER . 16.7 mm100 -64.14 -1.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.681 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 52' ' ' SER . 29.3 t -67.78 -48.56 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.685 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -81.93 -35.23 29.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.063 -178.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.4 t -40.45 -77.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.425 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.9 m -37.24 -49.09 0.91 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.928 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -75.5 -24.94 56.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.871 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 56' ' ' VAL . 10.1 tt0 -68.0 -58.35 4.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.008 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 63' ' ' LEU . 12.5 mt -50.41 -47.24 56.59 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.009 -0.276 . . . . 1.0 110.709 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -37.91 -56.58 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.636 -178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.415 ' O ' ' OG ' ' A' ' 65' ' ' SER . 36.3 tp -56.32 -32.14 64.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.606 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' LEU . 12.0 mt -74.78 -54.48 7.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.956 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -70.16 -0.45 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.106 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 62' ' ' LEU . 94.7 p -79.0 -56.68 4.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 1.0 110.94 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 m -94.6 35.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.644 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.1 t60 60.19 22.47 11.81 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.912 0.338 . . . . 1.0 111.912 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -72.39 -18.95 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.709 -0.397 . . . . 1.0 110.075 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.4 m -152.29 149.29 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.276 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -96.66 124.37 40.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.449 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.84 160.68 17.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.616 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -152.63 131.6 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.226 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.535 ' CZ ' ' SD ' ' A' ' 78' ' ' MET . 81.3 mtt180 -137.91 121.63 17.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.472 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -160.5 78.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.236 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.82 -64.23 0.42 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.245 -1.142 . . . . 1.0 110.245 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -172.64 -62.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 1.0 110.336 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.2 m -63.33 -167.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.502 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.535 ' SD ' ' CZ ' ' A' ' 73' ' ' ARG . 41.5 mtt -144.17 99.1 3.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.505 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 72.5 mt -87.57 103.65 13.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.626 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -97.75 145.56 26.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.217 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.6 t -159.64 -178.28 6.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.738 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.88 -158.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.562 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -172.74 -41.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.402 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 48.2 t0 -65.04 157.8 27.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.417 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 24.2 pt -111.11 -16.48 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.425 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -79.07 -59.47 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.929 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 88' ' ' ALA . 11.6 p -44.07 -42.17 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.12 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.512 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -69.45 -38.92 77.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.964 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -75.5 -34.29 60.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.804 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 30.6 ttm -62.44 -30.74 71.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.771 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.4 mt -77.23 -48.14 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 1.0 110.479 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -42.21 -72.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.467 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -58.69 -29.17 66.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.632 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.5 -60.09 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.801 -0.36 . . . . 1.0 111.218 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.5 pt -77.66 -2.56 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.165 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -78.68 -35.11 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 1.0 110.326 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.837 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.805 0.336 . . . . 1.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.6 m -59.91 -46.87 87.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.74 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.461 ' O ' HD23 ' B' ' 13' ' ' LEU . 2.0 tt -66.31 -39.23 89.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.969 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -53.66 -37.19 62.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.162 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -58.28 -55.8 30.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.051 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.4 m -67.09 -17.03 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.989 0.423 . . . . 1.0 110.521 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -78.37 -15.96 58.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.619 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -81.97 -49.77 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.928 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 pt -49.49 -43.57 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.879 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -69.32 -45.35 69.7 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.347 -0.541 . . . . 1.0 110.546 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -49.87 -18.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.51 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.54 -35.62 75.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.555 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.13 152.09 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.47 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -169.07 -100.17 0.13 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.744 -0.942 . . . . 1.0 110.744 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -61.74 109.3 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.789 0.328 . . . . 1.0 110.57 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -72.07 4.43 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.847 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -80.6 -7.82 59.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.437 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -70.82 -35.57 72.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.82 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -43.47 -59.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.95 0.405 . . . . 1.0 110.832 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -41.83 -68.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.405 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.7 pt -63.0 -26.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.166 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' B' ' 32' ' ' MET . 10.9 tmm? -67.4 -42.77 82.76 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.39 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.89 -36.5 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.52 -37.4 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.421 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.533 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -72.66 -31.61 65.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 1.0 109.981 -179.064 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -41.07 -21.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.016 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.6 p -164.15 69.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.695 0.76 . . . . 1.0 109.944 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -172.95 160.46 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.396 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -145.12 125.97 14.39 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.28 177.34 9.69 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.774 -0.37 . . . . 1.0 110.97 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -74.25 175.74 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.333 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.451 HG23 ' N ' ' B' ' 43' ' ' GLY . 24.2 m -79.63 -37.97 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.624 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.451 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -83.01 -43.72 7.45 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.129 -0.788 . . . . 1.0 111.129 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -44.26 -47.49 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 1.0 111.021 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -65.61 -25.53 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.884 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.517 ' OG ' ' NE2' ' B' ' 53' ' ' GLN . 3.2 m -66.35 -44.95 81.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.934 -178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.51 -49.59 46.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.037 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.63 -61.48 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.033 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.47 ' O ' HD23 ' B' ' 49' ' ' LEU . 0.7 OUTLIER -65.8 -6.74 12.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.127 -178.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 62.59 80.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 1.0 110.677 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 tp -152.73 148.77 27.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.923 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.527 ' OG ' ' ND2' ' B' ' 55' ' ' ASN . 11.4 p -82.96 121.82 27.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.79 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.517 ' NE2' ' OG ' ' B' ' 46' ' ' SER . 2.5 tp-100 -49.03 -47.56 44.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.425 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 69.9 m -31.95 -38.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.709 -0.678 . . . . 1.0 112.252 -177.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.527 ' ND2' ' OG ' ' B' ' 52' ' ' SER . 20.3 p30 -87.72 -41.83 13.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.612 0.244 . . . . 1.0 110.695 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 59' ' ' GLN . 77.0 t -39.44 -80.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.737 0.303 . . . . 1.0 111.336 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 39.3 t -40.1 -33.41 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.383 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . 0.53 ' ND1' ' N ' ' B' ' 58' ' ' HIS . 0.2 OUTLIER -82.83 -28.27 30.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.036 -179.468 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' B' ' 56' ' ' VAL . 11.9 mm-40 -67.2 -51.48 52.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.606 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.26 -43.76 92.45 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.82 -0.352 . . . . 1.0 110.593 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -43.94 -49.14 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.007 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.07 -51.44 70.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.89 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.531 HD12 ' N ' ' B' ' 63' ' ' LEU . 10.1 mp -67.18 -66.97 0.49 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.797 0.332 . . . . 1.0 110.662 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -23.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.182 -177.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -84.09 8.19 16.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.519 -0.309 . . . . 1.0 111.393 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.576 ' O ' HG12 ' B' ' 66' ' ' VAL . 43.5 t -132.32 15.07 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.717 0.294 . . . . 1.0 110.442 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 65.42 20.11 11.71 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.877 0.325 . . . . 1.0 111.877 175.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 41.5 mt -90.93 -18.11 25.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.639 0.257 . . . . 1.0 110.706 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -147.17 114.94 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.356 . . . . 1.0 110.72 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -96.27 153.0 18.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.926 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.77 -178.6 4.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.489 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -151.37 135.93 17.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.395 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -84.99 118.95 24.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.919 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.45 118.18 17.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.079 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.79 2.31 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -165.88 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 1.0 110.044 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' B' ' 78' ' ' MET . 29.4 t -66.66 -167.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.98 177.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.502 ' N ' ' OG ' ' B' ' 77' ' ' SER . 3.7 ptt? -155.54 99.13 2.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.055 0.455 . . . . 1.0 109.786 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.75 134.2 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.807 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.457 ' CE2' HD23 ' B' ' 35' ' ' LEU . 31.0 p90 -93.64 151.19 19.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.647 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.7 m -156.21 150.34 25.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.563 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' B' ' 84' ' ' ASP . 13.3 mt -76.65 -62.02 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.651 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 69.45 -13.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 82' ' ' LEU . 13.2 m-20 -78.97 105.55 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.717 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 5.7 tp -76.09 -22.54 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.493 ' O ' ' SD ' ' B' ' 90' ' ' MET . 40.0 t-80 -64.15 -69.66 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.711 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 34.8 t -51.78 -30.65 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.92 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.3 80.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.84 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 34.3 m -77.44 -52.89 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.885 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' B' ' 90' ' ' MET . 0.0 OUTLIER -44.81 -32.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.835 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 21.4 mt -78.07 -46.22 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 1.0 110.607 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -47.84 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.046 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.483 ' O ' ' ND1' ' B' ' 97' ' ' HIS . 91.0 mt-30 -47.84 -34.54 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.138 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.92 -55.0 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.036 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.445 ' O ' HG22 ' B' ' 95' ' ' ILE . 68.6 mt -76.96 -8.83 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.595 -178.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -74.46 -41.41 60.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.014 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' B' ' 93' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.663 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.568 0.223 . . . . 1.0 111.17 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.4 p -64.28 -40.29 95.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 1.0 110.634 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.492 ' O ' HD23 ' A' ' 13' ' ' LEU . 2.4 tt -66.58 -43.23 85.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.19 0.519 . . . . 1.0 109.9 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -43.89 -52.68 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.085 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -51.02 -36.87 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.939 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.7 t -68.91 -22.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 1.0 110.644 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.8 p -79.65 -15.43 57.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.051 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -79.74 -36.44 37.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.26 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -60.19 -54.88 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.372 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' O ' HD11 ' A' ' 23' ' ' LEU . 60.8 m-85 -55.93 -42.04 75.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.741 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -78.98 -13.98 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.922 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.12 -58.81 6.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.919 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD11 ' O ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -61.78 -175.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.575 -179.215 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.15 -104.62 0.2 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.0 127.42 31.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 1.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 41.1 p90 -41.01 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.318 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.568 ' ND2' ' CZ ' ' A' ' 26' ' ' TYR . 53.6 m-80 -58.13 -4.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.533 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.476 ' H ' ' C ' ' A' ' 26' ' ' TYR . 14.8 tpp180 -69.39 -28.63 66.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.724 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.8 mm -76.11 -58.87 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.694 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -44.7 -71.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.055 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.528 HG23 ' N ' ' A' ' 32' ' ' MET . 17.3 tt -43.2 -42.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.367 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.528 ' N ' HG23 ' A' ' 31' ' ' ILE . 26.1 ttt -59.16 -35.49 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.532 -0.304 . . . . 1.0 110.963 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -65.01 -33.02 75.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.911 -0.315 . . . . 1.0 110.591 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -78.01 -42.44 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.439 . . . . 1.0 110.153 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' VAL . 36.0 tp -61.33 -29.71 70.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.142 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.4 t -44.87 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.771 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' LEU . 52.6 t -85.74 -47.46 16.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.304 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t 62.78 78.57 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -172.24 50.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.578 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.07 169.46 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 1.0 110.895 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -81.79 -175.38 5.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.175 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -74.44 -37.06 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.94 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.19 -50.83 2.34 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.211 -0.755 . . . . 1.0 111.211 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -46.93 -33.03 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 1.0 111.068 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.6 tt -74.53 -21.2 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.065 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 t -79.39 -45.92 18.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.037 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.502 ' C ' ' H ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -63.18 -51.6 65.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.868 -178.645 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -70.52 12.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.725 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 47' ' ' HIS . 36.2 tp -132.89 -12.47 2.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.255 -0.43 . . . . 1.0 109.985 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.69 85.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.184 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.664 HD13 ' H ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -158.88 146.49 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.287 -0.634 . . . . 1.0 109.287 -178.23 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.664 ' H ' HD13 ' A' ' 51' ' ' LEU . 57.9 m -74.21 114.92 13.11 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.263 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.575 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 26.5 mp0 -56.84 -3.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.993 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 52' ' ' SER . 23.1 t -81.9 -19.78 40.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.729 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -97.45 -42.45 7.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.264 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.679 HG23 ' N ' ' A' ' 57' ' ' SER . 30.9 m -44.99 -62.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.807 -0.357 . . . . 1.0 111.144 -176.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.679 ' N ' HG23 ' A' ' 56' ' ' VAL . 8.6 t -47.1 -39.27 12.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.807 0.337 . . . . 1.0 110.907 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -70.94 -32.5 69.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.077 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.56 -51.67 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.291 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 14.2 mt -54.07 -57.56 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.544 -0.298 . . . . 1.0 111.548 -177.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -39.39 -65.32 0.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 1.0 111.581 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -57.86 -46.38 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.666 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.15 -37.99 84.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.504 -175.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' A' ' 70' ' ' LYS . 67.8 mttm -80.17 -38.14 31.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.318 . . . . 1.0 111.005 -178.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 67' ' ' HIS . 11.6 t -52.92 -43.54 66.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.357 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 66' ' ' VAL . 4.4 m -60.51 0.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.002 -177.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' A' ' 65' ' ' SER . 7.4 t-80 73.66 15.91 3.96 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.27 0.356 . . . . 1.0 111.9 176.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.5 mt -81.79 -74.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 1.0 110.13 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.4 t -76.55 149.5 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.946 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.517 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 97.0 mttt -111.96 -176.01 2.83 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.134 -0.484 . . . . 1.0 109.959 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.97 152.03 14.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 1.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -141.06 159.45 42.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.648 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 ptt85 -133.44 127.8 34.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.999 0.428 . . . . 1.0 110.547 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -159.57 68.53 0.41 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.177 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.63 -78.89 0.2 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.316 -1.114 . . . . 1.0 110.316 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -155.77 -72.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.1 m -62.69 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.642 . . . . 1.0 109.928 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.8 mtt -125.79 112.33 15.92 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.786 0.327 . . . . 1.0 110.458 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.1 mm -85.19 92.87 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.309 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -67.54 152.88 44.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.635 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.8 t -171.09 138.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.006 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -88.95 -172.18 3.59 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.912 -0.403 . . . . 1.0 109.912 178.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 17.2 p-10 -127.69 -49.96 1.37 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.231 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' A' ' 86' ' ' HIS . 21.8 m-20 -74.84 82.58 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.474 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -61.53 -0.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.54 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' A' ' 84' ' ' ASP . 7.5 t60 -68.01 -44.8 75.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.0 t -55.88 -48.91 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.673 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.44 -53.24 11.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.2 p -68.94 -45.07 71.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.548 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.2 ttt -47.0 -30.32 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.637 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.481 ' C ' HD23 ' A' ' 91' ' ' LEU . 2.8 tt -71.4 -65.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.953 -0.388 . . . . 1.0 109.953 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -47.69 -42.52 25.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.374 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.577 HE21 ' CE1' ' A' ' 97' ' ' HIS . 16.0 tm0? -53.31 -32.37 48.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.271 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.28 -45.45 47.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.502 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.2 mm -69.73 -5.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.268 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -84.2 -67.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.71 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.577 ' CE1' HE21 ' A' ' 93' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.811 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.754 0.311 . . . . 1.0 110.418 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -58.73 -35.14 72.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.668 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -72.49 -36.3 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.556 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -50.79 -26.51 5.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.333 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mmm-85 -73.34 -42.55 62.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.358 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 5.2 t -66.04 -22.93 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.387 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 75.9 m -84.26 -19.11 34.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.616 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.38 -31.12 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.879 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 pt -72.05 -38.3 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.844 -0.342 . . . . 1.0 110.663 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.424 ' O ' HD11 ' B' ' 23' ' ' LEU . 44.8 m-85 -64.44 -39.87 94.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.416 -0.514 . . . . 1.0 110.233 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -81.28 -9.33 59.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.91 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.58 -58.38 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.003 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.427 ' C ' HD12 ' B' ' 23' ' ' LEU . 0.3 OUTLIER -68.77 -171.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.498 -178.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.54 -75.52 0.04 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.25 -179.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 1.0 110.724 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.441 ' C ' ' H ' ' B' ' 28' ' ' ARG . 16.7 m-85 -99.99 -47.03 5.15 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.01 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.589 HD22 ' N ' ' B' ' 27' ' ' ASN . 1.4 m120 -64.63 3.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.78 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' B' ' 26' ' ' TYR . 2.2 tmt_? -58.25 -29.86 66.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.165 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' B' ' 32' ' ' MET . 16.1 mt -81.73 -46.13 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.8 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 -42.36 -46.43 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.08 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.8 pt -74.72 -29.35 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.538 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' ILE . 20.9 ttt -64.66 -46.37 82.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.851 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.59 -21.37 65.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.832 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -78.06 -39.45 41.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.685 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.455 ' C ' ' N ' ' B' ' 37' ' ' VAL . 35.9 mt -67.11 -27.15 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.704 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -46.88 -17.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 1.0 110.224 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.455 ' N ' ' C ' ' B' ' 35' ' ' LEU . 5.4 p -171.63 77.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.581 -0.736 . . . . 1.0 109.808 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 33.9 t -172.42 178.81 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.561 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -178.34 132.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.224 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.25 -177.72 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.861 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.419 ' O ' HG22 ' B' ' 45' ' ' ILE . 24.5 m -77.4 176.53 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.325 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.5 t -75.14 -39.94 43.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.009 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.64 -55.74 2.5 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -43.48 -49.52 7.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.769 0.319 . . . . 1.0 111.134 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.419 HG22 ' O ' ' B' ' 41' ' ' SER . 14.7 tt -55.53 -25.49 17.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.906 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -74.49 -65.06 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.162 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.55 ' NE2' ' NE2' ' B' ' 53' ' ' GLN . 34.5 m80 -52.0 -48.51 64.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.153 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -52.58 -50.65 62.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.784 -177.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 mt -80.65 8.58 7.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.226 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.44 ' ND2' ' N ' ' B' ' 50' ' ' ASN . 2.0 m120 59.31 53.64 5.19 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.765 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 33.4 mt -129.63 154.66 46.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.244 -0.435 . . . . 1.0 109.965 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.7 t -79.94 116.54 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.568 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.55 ' NE2' ' NE2' ' B' ' 47' ' ' HIS . 39.0 mt-30 -42.91 -55.78 3.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.997 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' B' ' 55' ' ' ASN . 82.8 p -44.16 -64.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.888 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.427 ' N ' ' OG ' ' B' ' 54' ' ' SER . 64.0 t30 -53.74 -50.71 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.516 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.5 t -50.12 -68.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.392 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.5 p -45.83 -47.49 15.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.778 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -60.58 -26.31 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.724 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -71.56 -48.64 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.865 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 mt -55.79 -41.02 73.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 1.0 110.587 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -46.64 -57.82 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.461 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 tp -47.76 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.386 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.615 HD12 ' H ' ' B' ' 63' ' ' LEU . 9.2 mp -42.36 -51.62 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.891 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -43.68 -53.0 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.152 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.512 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 10.6 m -64.5 -29.5 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.233 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.458 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 25.9 t -81.54 -6.99 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.754 -178.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' B' ' 65' ' ' SER . 1.2 m170 75.73 20.59 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.635 177.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 26.2 mt -83.98 -9.24 58.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.142 -0.223 . . . . 1.0 110.731 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -152.53 139.0 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.014 0.435 . . . . 1.0 111.053 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -98.62 168.67 10.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.788 -0.642 . . . . 1.0 109.765 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -149.18 116.52 6.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.822 0.344 . . . . 1.0 110.724 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -82.14 134.86 35.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.47 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -78.04 117.24 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.726 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -142.37 103.0 4.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.528 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 -145.56 37.37 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -62.87 -61.81 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.672 0.273 . . . . 1.0 111.048 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 66.5 m -85.26 -167.6 1.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.876 0.37 . . . . 1.0 110.982 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.8 mtt -141.47 132.94 26.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.25 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.3 mt -83.11 120.31 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.714 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -78.1 132.52 37.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.559 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -164.18 132.56 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.705 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.414 ' C ' HD12 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -80.17 -168.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.057 179.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -154.19 -31.01 0.11 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.626 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' B' ' 84' ' ' ASP . 1.2 p30 -70.8 88.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.43 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.0 pt -76.69 2.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -64.92 -45.67 84.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.588 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.418 ' H ' HG12 ' B' ' 87' ' ' VAL . 4.0 p -71.87 -29.19 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.587 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.26 97.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.656 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 27.7 p -73.35 -40.42 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.611 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 77.4 mtp -63.53 -20.62 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.486 ' C ' HD23 ' B' ' 91' ' ' LEU . 3.2 tt -72.44 -64.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.186 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 96' ' ' HIS . 75.4 mttt -50.37 -60.53 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.68 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -41.28 -37.64 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.202 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.87 -59.0 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.839 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 23.5 pt -81.24 -1.76 5.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.217 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' B' ' 92' ' ' LYS . 58.7 t-80 -81.09 -27.58 35.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 1.0 110.478 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.638 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.662 0.268 . . . . 1.0 110.934 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 12' ' ' THR . 0.1 OUTLIER -60.48 -36.0 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.669 -179.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' O ' HG22 ' A' ' 16' ' ' VAL . 6.2 tp -62.0 -40.33 95.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.455 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -50.7 -21.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.898 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -66.42 -60.4 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.077 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 13' ' ' LEU . 9.6 m -57.9 -15.67 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.569 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -78.82 -26.72 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.242 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -77.19 -43.11 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.285 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.407 ' H ' HG12 ' A' ' 19' ' ' ILE . 12.3 pt -58.89 -38.18 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.92 -0.312 . . . . 1.0 111.254 -177.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -71.27 -35.89 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.18 -0.608 . . . . 1.0 109.92 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -53.04 -28.1 22.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.737 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.51 96.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.773 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 3.5 mm? -51.82 130.27 28.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.043 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -172.85 128.43 1.53 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER 58.29 119.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 1.0 110.806 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.461 ' C ' ' N ' ' A' ' 28' ' ' ARG . 12.3 p90 -50.95 -34.0 26.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.538 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -45.22 -18.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.1 0.476 . . . . 1.0 110.442 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' N ' ' C ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -60.12 -54.03 50.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.332 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mt -62.44 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -43.09 -73.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.819 0.342 . . . . 1.0 111.101 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.52 HG23 ' N ' ' A' ' 32' ' ' MET . 14.0 tt -52.16 -46.23 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.618 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.52 ' N ' HG23 ' A' ' 31' ' ' ILE . 3.0 tpt -46.05 -35.05 4.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.041 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.65 -32.58 65.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.473 -0.33 . . . . 1.0 111.02 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.2 tp -74.24 -40.2 62.56 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.499 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.475 ' C ' ' N ' ' A' ' 37' ' ' VAL . 49.1 mt -61.96 -25.74 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t -45.06 -17.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 1.0 110.645 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.475 ' N ' ' C ' ' A' ' 35' ' ' LEU . 73.7 t -82.59 -46.59 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.039 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' LEU . 3.9 p 79.69 48.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.839 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -171.49 81.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.845 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.55 128.18 5.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.628 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.3 t -56.68 156.96 5.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.224 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.78 -40.39 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.039 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.46 -48.86 9.92 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.511 -0.636 . . . . 1.0 111.511 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -42.68 -42.28 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.71 0.291 . . . . 1.0 111.145 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 mm -49.44 -39.68 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.717 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 47' ' ' HIS . 86.6 p -71.9 -70.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.91 0.386 . . . . 1.0 111.282 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.675 ' CD2' HE21 ' A' ' 53' ' ' GLN . 23.6 m170 -55.94 -51.59 67.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.404 -177.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -57.99 -57.92 10.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.373 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -73.9 3.44 6.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.73 -176.549 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 60.37 61.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.89 -0.324 . . . . 1.0 111.279 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.6 mt -134.32 155.45 50.21 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.48 ' C ' ' H ' ' A' ' 54' ' ' SER . 10.3 t -79.86 127.5 32.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.661 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.675 HE21 ' CD2' ' A' ' 47' ' ' HIS . 22.2 mp0 -52.8 -5.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.537 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 52' ' ' SER . 20.0 m -85.91 -24.39 26.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 1.0 110.372 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -84.66 -50.4 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.166 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.75 HG23 ' H ' ' A' ' 57' ' ' SER . 26.8 m -53.72 -64.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.916 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.75 ' H ' HG23 ' A' ' 56' ' ' VAL . 7.0 t -40.29 -48.63 2.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.328 . . . . 1.0 111.379 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -71.6 -27.33 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.493 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 56' ' ' VAL . 4.4 tp-100 -63.8 -66.62 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.991 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -47.42 -38.89 14.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.644 0.259 . . . . 1.0 111.184 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -44.55 -62.86 1.04 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.722 0.296 . . . . 1.0 110.837 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.79 -64.84 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.372 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 mt -37.05 -51.22 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.834 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -59.2 -38.13 79.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.546 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 67' ' ' HIS . 29.7 p -70.76 -52.99 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.504 -0.317 . . . . 1.0 111.579 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.1 m -53.76 -4.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.66 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' A' ' 65' ' ' SER . 10.8 t-80 72.63 16.14 4.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.747 0.277 . . . . 1.0 111.747 177.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.34 -79.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.163 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 m -74.59 155.7 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 1.0 110.813 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -129.77 146.5 51.52 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.202 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.67 163.41 15.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -151.34 143.54 24.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.412 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.3 ptt85 -139.4 106.25 5.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.963 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -158.43 83.86 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.418 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.73 -170.24 45.73 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.371 -1.091 . . . . 1.0 110.371 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 40.89 -99.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 1.0 111.095 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 m -162.13 -170.48 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 58.7 mtm -67.59 118.46 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.37 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 82.8 mt -132.96 117.05 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.215 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -91.07 141.32 28.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.588 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.0 t -159.62 179.08 9.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.535 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.35 -158.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.534 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -169.13 -58.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.423 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.2 111.44 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.455 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.3 tt -67.11 -23.53 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.663 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -68.21 -57.71 5.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.77 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.2 t -51.71 -37.88 20.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.877 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.65 -41.98 87.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.719 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.404 ' H ' ' HG1' ' A' ' 89' ' ' THR . 22.2 p -73.79 -50.27 21.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.592 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 93.4 mtp -44.29 -29.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.97 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.472 ' C ' HD23 ' A' ' 91' ' ' LEU . 2.3 tt -74.18 -60.33 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.077 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -47.14 -61.08 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.535 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -43.99 -39.83 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.066 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -61.69 -63.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.977 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 95' ' ' ILE . 19.5 pt -74.62 -1.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.126 -178.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -75.37 -41.28 56.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 1.0 110.458 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.7 t60 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.688 -179.734 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.719 0.295 . . . . 1.0 110.795 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.1 m -79.59 -58.07 3.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.812 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 21.5 mt -79.05 -13.99 59.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.813 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -55.07 -35.39 64.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.497 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -67.43 -50.06 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.382 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.48 -20.63 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.383 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.9 m -80.54 -25.95 38.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.218 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -66.34 -28.56 68.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.417 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 40.3 mt -74.31 -58.5 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.494 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -64.39 -45.19 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.757 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -50.63 -41.01 54.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.47 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.22 70.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.43 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.541 HD23 ' N ' ' B' ' 24' ' ' GLY . 2.1 tt -45.5 125.42 5.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.314 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.541 ' N ' HD23 ' B' ' 23' ' ' LEU . . . -159.83 124.48 1.35 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.14 -0.784 . . . . 1.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' B' ' 27' ' ' ASN . 9.4 m-20 57.17 114.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 1.0 110.656 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -58.31 -3.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.475 ' H ' ' C ' ' B' ' 25' ' ' ASP . 3.1 m120 -62.89 -17.62 61.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.684 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -61.02 -56.6 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.722 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mm -45.09 -51.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.476 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -45.7 -52.24 11.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.577 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' B' ' 34' ' ' LEU . 83.4 mt -67.07 -62.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.465 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 64.5 mmm -44.35 -32.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.819 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -74.5 -31.44 62.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.82 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.507 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -72.1 -38.01 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.279 -178.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.47 -45.57 75.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.887 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 51.5 p -46.12 -24.04 0.39 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.794 0.331 . . . . 1.0 110.539 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -78.14 -41.84 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.652 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.511 ' OG ' ' N ' ' B' ' 39' ' ' GLU . 12.3 t -177.64 -113.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.782 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.511 ' N ' ' OG ' ' B' ' 38' ' ' SER . 8.5 pt-20 -166.29 165.47 17.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 1.0 110.464 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.21 176.02 11.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.588 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -69.83 164.21 24.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.592 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.508 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.8 p -63.37 -42.34 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 1.0 111.384 -178.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.508 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -84.66 -66.77 1.45 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.961 -0.456 . . . . 1.0 111.961 -177.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -39.57 -48.89 2.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.677 0.251 . . . . 1.0 111.677 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 tt -44.81 -32.12 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.963 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -75.46 -42.14 53.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.236 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -59.22 -54.46 46.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.16 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -66.05 -44.55 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.151 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.25 -9.46 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 1.0 110.515 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 67.2 69.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.227 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -140.54 149.01 41.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.043 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.478 ' C ' ' H ' ' B' ' 54' ' ' SER . 17.4 t -77.94 116.74 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.254 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.66 -3.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.444 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.478 ' H ' ' C ' ' B' ' 52' ' ' SER . 8.3 t -76.73 -42.11 42.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 1.0 110.494 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' B' ' 59' ' ' GLN . 1.5 m-20 -87.26 -36.41 17.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.78 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' B' ' 59' ' ' GLN . 92.2 t -43.24 -76.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.325 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -43.4 -47.64 6.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.048 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -65.44 -29.35 70.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.612 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 55' ' ' ASN . 5.3 tp-100 -66.86 -59.38 3.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.785 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' B' ' 60' ' ' LEU . 39.6 mt -44.11 -33.7 1.57 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.839 0.352 . . . . 1.0 110.858 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -51.58 -52.32 48.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.733 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.19 -27.44 69.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.358 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.507 ' N ' HD22 ' B' ' 63' ' ' LEU . 3.4 mm? -76.15 -46.65 27.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.621 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.495 ' C ' ' H ' ' B' ' 66' ' ' VAL . 58.2 tttm -75.02 -37.77 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.394 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -58.8 0.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.506 -0.315 . . . . 1.0 111.556 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.495 ' H ' ' C ' ' B' ' 64' ' ' LYS . 2.5 t -133.8 15.44 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.665 0.269 . . . . 1.0 110.724 -178.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.4 m170 62.23 15.93 7.96 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.195 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.526 ' O ' HD23 ' B' ' 68' ' ' LEU . 0.8 OUTLIER -76.51 -21.91 55.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.115 0.483 . . . . 1.0 109.765 179.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -150.46 144.18 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' B' ' 70' ' ' LYS . 3.2 mptp? -96.33 154.91 17.0 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -149.06 100.42 3.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.253 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.428 ' NZ ' ' CB ' ' B' ' 72' ' ' LYS . 2.1 ttmp? -155.35 152.75 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.323 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -82.1 163.25 22.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.744 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -156.09 66.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.905 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.21 27.41 61.98 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.624 -0.59 . . . . 1.0 111.624 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -153.53 -81.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.684 0.278 . . . . 1.0 110.429 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 73.3 p -166.81 -169.46 1.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 21.5 mmt -64.95 119.65 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.363 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.409 HG23 ' O ' ' B' ' 79' ' ' ILE . 14.4 tt -145.95 124.82 5.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.878 0.37 . . . . 1.0 110.482 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 15.8 p90 -112.72 145.73 39.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.754 -178.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.9 p -160.85 174.23 14.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.725 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 82' ' ' LEU . 7.0 mp -87.76 120.62 29.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.278 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -85.71 -45.59 11.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -77.8 100.56 6.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.801 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 14.0 mm -61.59 -32.05 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.523 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -45.8 -46.29 15.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.702 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.6 -47.21 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.758 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.42 -62.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.096 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 18.6 m -60.72 -39.56 89.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.017 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 21.4 ttt -45.26 -35.01 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.933 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 94' ' ' ALA . 13.6 mt -74.23 -61.35 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.55 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' B' ' 96' ' ' HIS . 0.9 OUTLIER -45.8 -33.25 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 1.0 110.317 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.51 -30.78 70.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.695 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -73.71 -45.56 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.98 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.673 HD12 ' N ' ' B' ' 95' ' ' ILE . 1.9 mp -73.49 -7.85 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.514 -0.312 . . . . 1.0 110.23 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' B' ' 92' ' ' LYS . 39.9 m170 -86.29 -47.39 9.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.516 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.452 -179.815 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.739 0.304 . . . . 1.0 110.706 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.6 m -68.62 -60.18 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.728 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.6 mt -72.84 -20.05 61.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.465 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.01 -35.56 62.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.577 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -75.66 -41.16 54.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.77 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.42 -26.75 27.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.602 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -79.68 -28.88 40.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.131 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.91 -37.54 87.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.164 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.46 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 69.8 mt -61.84 -61.21 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.49 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -62.75 -45.16 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.653 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.31 -17.07 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.652 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -67.33 -44.04 80.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.591 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' ' CD1' ' B' ' 20' ' ' PHE . 13.9 mt -55.49 163.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.477 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.561 ' H ' ' NE ' ' A' ' 28' ' ' ARG . . . -173.42 -83.58 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.712 ' H ' HH21 ' A' ' 28' ' ' ARG . 64.4 m-20 -61.37 178.65 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 1.0 110.597 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -100.27 -49.63 4.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.465 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -69.34 3.24 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.209 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.712 HH21 ' H ' ' A' ' 25' ' ' ASP . 4.2 ptp180 -60.98 -32.52 72.08 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.842 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.549 HG23 ' N ' ' A' ' 30' ' ' ARG . 16.1 tt -83.03 -45.67 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.952 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.549 ' N ' HG23 ' A' ' 29' ' ' ILE . 36.9 mtm180 -38.32 -41.56 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.541 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.91 -53.56 25.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.452 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.6 mtp -46.18 -32.44 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.791 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' OG ' ' A' ' 36' ' ' SER . 43.8 mt-10 -66.34 -74.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.771 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.3 tp -49.0 -30.71 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.613 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 38' ' ' SER . 11.0 tp -70.21 -54.77 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.631 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 24.7 p -45.34 -23.56 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.75 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.17 -35.38 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.911 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 35' ' ' LEU . 17.2 m -165.61 -138.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.839 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.7 166.68 31.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.421 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.17 -177.92 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.648 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -71.92 168.75 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.7 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 t -65.37 -52.45 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.384 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.99 -43.61 8.11 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.228 -0.511 . . . . 1.0 111.88 -176.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -45.54 -28.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.369 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.4 mt -77.88 -25.37 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.973 -0.291 . . . . 1.0 110.993 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' GLY . 3.5 m -68.91 -51.13 43.2 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.95 -0.3 . . . . 1.0 111.372 -177.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -70.7 -50.35 37.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.249 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -61.71 -46.42 89.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.396 . . . . 1.0 111.136 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 tp -76.89 -1.69 29.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 1.0 110.821 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.55 65.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.946 0.403 . . . . 1.0 110.421 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tp -144.57 153.39 41.76 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.253 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 54' ' ' SER . 13.9 t -82.23 124.63 30.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.807 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -61.04 1.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.427 -0.351 . . . . 1.0 111.212 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 52' ' ' SER . 53.6 p -88.62 -26.08 22.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 1.0 110.338 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -86.33 -41.8 14.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.186 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.644 HG23 ' H ' ' A' ' 57' ' ' SER . 29.2 m -42.56 -59.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.202 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.644 ' H ' HG23 ' A' ' 56' ' ' VAL . 23.2 m -39.62 -64.89 0.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.726 0.298 . . . . 1.0 111.39 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -61.15 -30.97 70.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.577 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.62 HE22 ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -62.18 -67.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.612 -178.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.42 -47.02 85.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.85 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -44.5 -53.73 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.827 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.9 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.558 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.62 ' CD1' HE22 ' A' ' 59' ' ' GLN . 27.1 mt -44.55 -53.65 6.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.92 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -47.4 -49.43 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.042 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.2 m -61.44 -36.01 79.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.188 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 66' ' ' VAL . 33.4 t -77.87 -3.59 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.682 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 71.41 15.91 6.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.56 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.5 mt -79.96 -13.68 59.16 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.001 -0.37 . . . . 1.0 110.001 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.7 t -148.58 132.33 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.182 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -96.67 -172.47 2.5 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.512 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.08 108.09 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.404 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -75.05 138.85 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.562 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -109.86 90.54 3.34 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.74 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.65 113.51 25.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 38.06 53.36 2.08 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.859 -0.496 . . . . 1.0 111.859 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 67.78 77.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 1.0 110.648 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 t -169.45 104.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.59 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 33.0 mtt -81.98 110.09 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.665 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.52 116.22 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.887 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -73.41 126.13 29.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.85 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.5 m -151.28 142.12 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.662 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.1 tp -90.85 114.06 26.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.313 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.79 -37.77 67.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.559 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 4.5 m-20 -82.35 87.58 6.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.661 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 85' ' ' ILE . 70.6 mt -77.56 -11.28 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.423 ' ND1' ' N ' ' A' ' 86' ' ' HIS . 2.3 m-70 -61.68 -54.4 43.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.978 -179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.05 -26.8 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.308 . . . . 1.0 110.643 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 85' ' ' ILE . . . -55.43 -48.07 75.01 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.137 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.6 m -63.59 -37.1 86.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 90' ' ' MET . 10.8 tmm? -46.59 -35.38 5.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.691 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 91' ' ' LEU . 3.3 mm? -72.84 -55.95 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.955 -0.387 . . . . 1.0 109.955 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -41.35 -47.72 3.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -66.55 -32.19 73.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.662 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -68.0 -51.69 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.761 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.8 mm -63.61 -11.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.655 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.493 ' C ' ' HD1' ' A' ' 96' ' ' HIS . 4.7 t-80 -83.45 -41.46 18.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.504 -0.317 . . . . 1.0 110.568 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.48 ' O ' ' ND1' ' A' ' 97' ' ' HIS . 1.5 t60 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.493 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t70 . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.845 0.355 . . . . 1.0 110.736 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.9 m -70.84 -34.31 71.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.78 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 tp -58.86 -45.42 90.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.347 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -46.98 -50.4 19.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.736 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -51.26 -37.42 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.32 -22.16 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.533 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.7 m -79.89 -24.59 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.354 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' B' ' 22' ' ' ALA . 20.0 tp10 -70.07 -35.62 74.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.555 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.0 mt -64.57 -58.22 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.682 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.458 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 65.0 m-85 -65.82 -41.84 91.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.876 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -65.39 -33.04 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.857 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' B' ' 18' ' ' GLU . . . -59.05 -44.32 91.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.595 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tp -47.12 149.87 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.476 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.522 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -167.83 133.46 2.9 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' B' ' 24' ' ' GLY . 46.2 t0 57.97 117.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 1.0 110.709 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -56.69 -20.98 24.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.758 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.438 ' OD1' ' NH2' ' B' ' 30' ' ' ARG . 55.9 t30 -59.29 -15.52 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.701 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.522 ' NH1' ' O ' ' B' ' 24' ' ' GLY . 0.0 OUTLIER -66.9 -35.3 79.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.539 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.95 -52.71 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.438 ' NH2' ' OD1' ' B' ' 27' ' ' ASN . 57.7 ttp180 -42.21 -46.09 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.062 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.38 -51.8 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.55 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 23.8 ttt -45.95 -31.71 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.766 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.98 -55.24 11.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.732 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.75 -37.72 85.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.36 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.4 tp -65.09 -21.57 66.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.332 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.7 t -77.92 -12.92 60.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.497 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.417 ' O ' ' OG ' ' B' ' 38' ' ' SER . 45.4 t -83.92 -40.66 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.63 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 59.7 m -167.22 -121.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.658 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.04 171.22 11.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 1.0 110.621 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.15 -178.16 6.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.438 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.482 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 9.5 p -70.76 165.95 21.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.495 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -66.31 -38.35 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.093 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -86.03 -57.67 2.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.478 -0.649 . . . . 1.0 111.478 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.482 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 0.2 OUTLIER -40.67 -48.72 2.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.812 0.339 . . . . 1.0 111.167 -178.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.435 HG22 ' O ' ' B' ' 41' ' ' SER . 15.5 tt -57.59 -33.99 46.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.44 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.482 ' N ' ' O ' ' B' ' 43' ' ' GLY . 10.1 m -71.2 -73.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.39 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -47.42 -47.82 26.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.141 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -51.83 -51.56 55.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.04 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.4 mt -83.4 10.09 9.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.417 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 59.73 67.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 1.0 110.952 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.428 HD21 ' NH2' ' B' ' 30' ' ' ARG . 83.2 mt -138.54 149.17 45.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.989 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.463 ' C ' ' H ' ' B' ' 54' ' ' SER . 15.1 t -78.65 116.82 19.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.442 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -58.35 -2.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.02 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.463 ' H ' ' C ' ' B' ' 52' ' ' SER . 30.5 t -86.23 -28.02 24.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.51 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.68 -44.22 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.999 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.626 HG23 ' N ' ' B' ' 57' ' ' SER . 21.2 m -43.74 -55.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.118 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.626 ' N ' HG23 ' B' ' 56' ' ' VAL . 73.4 m -40.15 -38.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.304 . . . . 1.0 111.288 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -80.6 -29.33 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.783 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' B' ' 56' ' ' VAL . 24.9 mt-30 -62.36 -72.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.451 -0.34 . . . . 1.0 111.148 -178.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.4 -50.13 63.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.034 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -44.04 -63.7 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.332 -0.394 . . . . 1.0 111.091 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 tp -40.4 -52.42 2.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.534 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.57 HD12 ' N ' ' B' ' 63' ' ' LEU . 7.4 mp -66.78 -42.98 85.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.659 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.18 -17.79 63.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.942 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.4 m -81.35 -44.24 17.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.268 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.465 ' H ' HG22 ' B' ' 66' ' ' VAL . 3.9 m -76.36 12.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.055 -0.258 . . . . 1.0 111.285 -177.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 70.06 17.05 7.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.325 0.491 . . . . 1.0 112.325 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.22 -83.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.586 -0.446 . . . . 1.0 110.044 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 m -78.0 160.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.793 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -130.21 -164.95 1.47 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.081 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -163.89 -165.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.97 0.415 . . . . 1.0 110.712 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -146.17 135.83 23.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.194 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -78.07 118.69 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.806 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -140.81 103.69 4.55 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.31 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.86 -134.69 46.65 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.44 ' CD ' ' N ' ' B' ' 76' ' ' GLN . 3.6 mp0 -87.23 -15.31 38.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.771 0.32 . . . . 1.0 110.703 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.507 ' OG ' ' N ' ' B' ' 78' ' ' MET . 14.3 t -101.72 -174.85 2.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.31 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.527 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -154.35 119.02 4.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.977 0.418 . . . . 1.0 109.964 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.7 mm -82.68 110.74 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.94 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -74.88 138.92 42.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.434 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.4 p -157.76 160.6 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.632 HD22 ' N ' ' B' ' 82' ' ' LEU . 2.8 mm? -81.1 -167.71 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.968 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -157.15 -61.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.34 103.15 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.58 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.58 -20.18 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.598 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.456 ' ND1' ' N ' ' B' ' 86' ' ' HIS . 1.3 m80 -50.75 -40.76 55.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.647 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.3 t -78.11 -47.29 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.843 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.95 -51.34 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.862 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 12.3 t -70.86 -33.87 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.876 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . 0.449 ' O ' ' SD ' ' B' ' 90' ' ' MET . 1.6 tmt? -57.45 -27.98 62.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.502 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 33.4 tp -80.15 -34.49 37.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.062 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -59.35 -60.59 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.767 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -55.94 -28.07 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.714 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.64 -49.35 63.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.95 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.474 ' O ' HG22 ' B' ' 95' ' ' ILE . 86.4 mt -77.51 -8.81 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.989 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -81.64 -40.03 23.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 1.0 110.601 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.639 -179.647 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.886 0.375 . . . . 1.0 110.357 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.9 m -108.35 -53.07 2.68 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.817 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 tp -69.6 -31.75 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.347 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 17' ' ' THR . 76.6 tt0 -54.6 -14.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.732 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -77.09 -59.12 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.952 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.416 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 23.5 m -61.39 -15.5 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.774 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 33.5 p -78.5 -39.17 38.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.545 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.05 -26.44 68.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.587 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.62 -67.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.812 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 20.0 m-85 -56.34 -42.27 77.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.356 . . . . 1.0 111.022 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -57.84 -33.26 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.721 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.58 88.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.731 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -55.38 157.99 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.5 -91.94 0.08 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.776 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 70.3 m-20 -57.76 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.317 . . . . 1.0 110.502 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.428 ' C ' ' H ' ' A' ' 28' ' ' ARG . 34.2 t80 -99.81 -44.34 6.11 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.344 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -64.67 3.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.388 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.776 ' HE ' ' H ' ' A' ' 25' ' ' ASP . 34.8 mmt180 -50.62 -55.2 17.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 1.0 110.92 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.77 -33.02 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.478 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -47.04 -73.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.909 -0.317 . . . . 1.0 111.086 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 pt -54.72 -37.98 41.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.881 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.3 ttt -53.92 -31.59 50.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.634 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.47 -25.86 59.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.986 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 tp -77.34 -41.9 38.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.886 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.77 -24.82 66.24 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.66 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.509 ' O ' HG13 ' A' ' 37' ' ' VAL . 17.8 p -64.21 -21.57 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.793 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 36' ' ' SER . 15.6 m -160.05 55.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.765 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.6 m 163.26 98.66 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.161 -0.311 . . . . 1.0 110.161 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -84.84 152.86 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.204 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.25 179.69 7.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 1.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.5 p -83.02 -173.34 4.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.366 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.2 t -78.44 -38.17 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.106 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.27 -60.62 2.35 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.313 -0.715 . . . . 1.0 111.313 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -43.08 -55.37 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.712 0.292 . . . . 1.0 111.081 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 46' ' ' SER . 20.2 tt -53.82 -35.3 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.316 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 45' ' ' ILE . 9.2 t -76.29 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.028 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -52.09 -50.15 62.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.05 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' ASN . 30.7 mt-30 -55.69 -62.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.03 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.523 HD12 ' N ' ' A' ' 49' ' ' LEU . 7.4 mp -65.01 6.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.908 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.469 ' H ' ' C ' ' A' ' 48' ' ' GLN . 5.2 m120 62.14 31.24 17.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.547 0.213 . . . . 1.0 111.506 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 mt -103.52 150.84 23.53 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 54' ' ' SER . 43.2 m -78.16 111.59 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.497 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -56.16 -5.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 52' ' ' SER . 7.8 t -78.88 -42.27 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.416 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.64 -36.7 32.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.583 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 59' ' ' GLN . 98.0 t -46.0 -64.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.685 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 p -43.09 -45.6 5.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.927 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -70.84 -32.16 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.361 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 56' ' ' VAL . 7.9 tt0 -64.05 -59.53 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.817 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.78 -39.01 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.722 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -45.67 -60.85 1.97 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.515 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 tp -46.7 -66.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.548 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.9 mp -45.11 -51.81 9.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.632 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -52.83 -61.46 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.802 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 t -53.88 -30.6 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.496 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 66' ' ' VAL . 68.4 t -79.92 -6.36 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.732 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 70.17 19.33 6.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.943 0.401 . . . . 1.0 110.762 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -82.25 -0.67 46.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.14 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -155.19 148.94 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.38 . . . . 1.0 110.829 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -104.98 122.12 45.17 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.241 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 170.07 11.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.877 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -154.96 134.8 12.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.431 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -90.99 114.67 27.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 76' ' ' GLN . 41.0 mt-30 -139.2 133.95 32.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.906 0.384 . . . . 1.0 110.699 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.35 -73.65 0.09 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.202 -0.759 . . . . 1.0 111.202 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 74' ' ' GLN . 47.5 tt0 -157.67 -56.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 78' ' ' MET . 37.8 t -63.49 -167.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.639 . . . . 1.0 109.549 177.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -131.31 101.71 5.67 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.0 mm -75.77 111.26 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.699 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -76.52 140.16 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.516 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.4 p -152.99 147.92 26.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.543 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -70.98 -167.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.678 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -160.09 -34.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.395 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.85 141.53 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.555 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.2 mm -103.5 -19.34 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.407 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 89' ' ' THR . 7.2 m170 -79.48 -41.33 27.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.983 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.1 t -43.56 -37.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.119 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.04 -29.72 43.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.772 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 86' ' ' HIS . 86.4 m -78.26 -45.0 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.07 -178.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.6 ptm -69.65 -25.76 64.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.076 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.5 tp -71.1 -64.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 1.0 110.351 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -47.62 -30.4 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.147 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -63.27 -33.84 76.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.59 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 -41.25 76.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.377 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.725 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -78.9 -9.0 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.913 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -77.52 -31.98 53.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.553 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.663 -179.909 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.604 0.24 . . . . 1.0 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -71.27 -70.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 1.0 110.728 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.5 ' O ' HD23 ' B' ' 13' ' ' LEU . 1.7 tt -48.74 -52.06 25.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.251 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' B' ' 17' ' ' THR . 32.9 mt-10 -47.33 -55.15 9.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.744 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -46.74 -41.29 14.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.759 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 -22.53 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.011 0.434 . . . . 1.0 110.493 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.421 ' N ' ' O ' ' B' ' 14' ' ' GLU . 15.5 m -85.48 -14.16 46.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.492 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -81.34 -34.29 31.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.755 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.473 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 13.1 pt -69.12 -37.76 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.753 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -67.57 -44.78 77.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.156 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -65.98 -16.68 64.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.026 0.441 . . . . 1.0 110.23 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -61.09 -47.31 86.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.769 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.571 HD12 ' N ' ' B' ' 23' ' ' LEU . 9.7 mp -49.74 164.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.059 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.71 -99.73 0.14 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.73 -0.948 . . . . 1.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.406 ' HB2' HD21 ' B' ' 27' ' ' ASN . 12.9 m-20 -72.24 114.24 10.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.277 . . . . 1.0 110.264 178.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -51.96 -16.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.397 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.574 HD22 ' N ' ' B' ' 28' ' ' ARG . 0.4 OUTLIER -77.97 -12.08 59.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 1.0 110.956 -179.064 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.574 ' N ' HD22 ' B' ' 27' ' ' ASN . 5.9 ptm85 -65.87 -23.27 66.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.858 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 91.2 mt -77.39 -49.05 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.762 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -41.33 -43.73 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.153 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 87.3 mt -58.89 -44.7 91.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.607 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 34.1 tpp -59.35 -29.43 67.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.553 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.428 ' O ' HG23 ' B' ' 37' ' ' VAL . 51.3 tt0 -66.24 -30.53 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.969 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 tp -94.15 -37.37 11.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.859 0.361 . . . . 1.0 110.499 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -69.69 -45.38 68.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.481 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 47.6 t -58.27 -25.08 61.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.914 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 33' ' ' GLU . 99.0 t -75.66 -30.36 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.543 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 39.3 t -168.52 -119.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.64 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -170.22 162.3 8.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.829 0.347 . . . . 1.0 110.501 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.74 -177.99 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.53 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.524 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 3.3 p -68.52 162.97 24.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.285 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.468 HG13 ' N ' ' B' ' 43' ' ' GLY . 9.0 p -68.01 -40.33 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.116 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.468 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -81.46 -48.65 5.83 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.601 -0.6 . . . . 1.0 111.601 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.524 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 0.3 OUTLIER -42.78 -37.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.607 0.241 . . . . 1.0 111.328 -177.656 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -69.74 -30.68 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.511 -0.313 . . . . 1.0 111.288 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 88.2 p -72.44 -59.1 2.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.445 -0.343 . . . . 1.0 111.4 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -68.64 -53.64 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.307 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -51.43 -48.97 62.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.925 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.04 11.24 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.889 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 50' ' ' ASN . 17.3 t-20 62.66 51.28 3.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.625 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -126.24 153.31 44.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.036 0.446 . . . . 1.0 110.305 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.497 ' C ' ' H ' ' B' ' 54' ' ' SER . 36.2 p -79.37 120.0 23.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.179 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.56 1.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.425 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.497 ' H ' ' C ' ' B' ' 52' ' ' SER . 8.6 t -82.87 -25.6 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.692 0.282 . . . . 1.0 110.867 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -100.41 -29.02 12.63 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.512 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.678 HG13 ' N ' ' B' ' 57' ' ' SER . 10.8 p -45.27 -62.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.052 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.678 ' N ' HG13 ' B' ' 56' ' ' VAL . 5.7 m -43.08 -36.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 1.0 111.159 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -71.6 -31.03 66.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.95 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' B' ' 56' ' ' VAL . 25.3 mm100 -63.02 -71.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.111 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' B' ' 60' ' ' LEU . 14.1 mt -44.62 -54.27 6.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.51 -0.314 . . . . 1.0 111.168 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -41.71 -56.69 2.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 1.0 111.104 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.408 ' C ' HD23 ' B' ' 62' ' ' LEU . 1.1 tt -54.25 -67.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.343 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 17.7 mt -45.75 -51.04 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.065 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -46.59 -69.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.044 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.444 ' C ' ' N ' ' B' ' 67' ' ' HIS . 52.1 p -43.83 -55.09 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.279 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.401 HG12 ' O ' ' B' ' 66' ' ' VAL . 26.6 t -53.02 -8.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.718 -177.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.444 ' N ' ' C ' ' B' ' 65' ' ' SER . 18.1 t60 71.43 18.5 5.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.451 177.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.06 -15.85 59.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.72 135.09 17.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.26 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -96.48 156.74 16.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.205 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.65 160.37 17.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.467 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.89 118.04 12.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.862 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.528 ' O ' ' NE ' ' B' ' 73' ' ' ARG . 3.0 tmm_? -109.08 81.13 1.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.123 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' B' ' 75' ' ' GLY . 12.9 tm0? -106.37 96.51 6.52 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.568 -0.901 . . . . 1.0 108.568 176.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 74' ' ' GLN . . . 61.72 125.4 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 109.733 -1.347 . . . . 1.0 109.733 -175.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' B' ' 75' ' ' GLY . 9.3 tt0 -29.23 95.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.436 0.532 . . . . 1.0 112.436 -176.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -178.05 111.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.208 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.7 mpt? -59.42 106.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.041 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 93.3 mt -134.21 118.87 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -99.64 139.61 35.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.713 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -155.48 158.83 39.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.709 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 82' ' ' LEU . 7.1 mp -81.79 -173.2 4.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.247 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -161.27 -47.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.515 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' B' ' 85' ' ' ILE . 48.8 t0 -52.66 157.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.55 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.459 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 17.6 pt -110.72 -8.65 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.195 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -79.39 -41.74 27.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.797 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.01 -52.83 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.767 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.65 -48.78 66.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.057 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 36.9 p -74.35 -52.68 11.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.873 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 25.1 ttt -40.44 -40.64 1.25 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.481 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -70.76 -53.23 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 1.0 110.455 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.526 ' O ' ' CD2' ' B' ' 96' ' ' HIS . 53.7 mttp -54.49 -45.38 73.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.748 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -52.96 -37.77 61.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.872 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.74 -46.54 62.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.962 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.47 ' O ' HG22 ' B' ' 95' ' ' ILE . 92.7 mt -78.48 -8.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.951 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' B' ' 92' ' ' LYS . 21.2 m170 -82.15 -37.04 26.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 1.0 110.325 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 35.3 m80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.527 179.888 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.808 0.337 . . . . 1.0 110.634 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 p -80.72 -63.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.701 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' O ' ' OG1' ' A' ' 17' ' ' THR . 13.9 mt -72.56 -36.31 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.801 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.86 -54.0 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.959 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -47.4 -52.3 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.961 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.36 -10.78 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.23 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 13' ' ' LEU . 6.4 m -70.75 -22.32 62.42 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.159 -0.617 . . . . 1.0 109.857 178.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -86.89 -56.23 3.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.409 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 20' ' ' PHE . 13.4 tt -46.89 -48.77 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.854 -0.338 . . . . 1.0 111.541 -175.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.56 ' N ' HG23 ' A' ' 19' ' ' ILE . 49.1 m-85 -69.92 -40.62 75.44 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.683 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -71.05 -7.32 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 1.0 110.606 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' A' ' 24' ' ' GLY . . . -84.83 -41.98 15.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.365 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 23' ' ' LEU . 1.8 pp -72.78 25.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.903 -0.319 . . . . 1.0 111.457 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 22' ' ' ALA . . . -65.72 67.79 0.12 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.217 -0.753 . . . . 1.0 111.217 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.52 ' OD2' ' N ' ' A' ' 28' ' ' ARG . 26.0 t70 -173.58 86.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 1.0 110.38 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -55.44 -18.05 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.246 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -82.19 -17.29 46.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 1.0 110.779 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.52 ' N ' ' OD2' ' A' ' 25' ' ' ASP . 20.2 tpt180 -68.07 -55.8 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.988 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 30' ' ' ARG . 20.5 tt -43.24 -49.03 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.192 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.596 ' N ' HG23 ' A' ' 29' ' ' ILE . 75.0 ttt180 -46.02 -37.27 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 1.0 110.631 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' LEU . 27.7 mt -75.54 -55.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.559 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.0 mtp -45.99 -38.08 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.634 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -68.32 -33.68 74.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.573 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -78.42 -42.8 29.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 1.0 109.966 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.489 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -66.93 -16.35 64.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.221 0.534 . . . . 1.0 109.817 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' HG13 ' A' ' 37' ' ' VAL . 71.9 m -71.27 -15.81 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 36' ' ' SER . 8.7 m -156.1 65.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.862 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -155.74 -65.08 0.12 Allowed 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.968 -0.293 . . . . 1.0 111.609 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 61.51 103.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.762 -0.459 . . . . 1.0 109.762 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.73 -176.34 5.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.906 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -68.75 173.72 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.322 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 43' ' ' GLY . 7.3 p -78.41 -41.18 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.885 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.488 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -79.22 -46.39 8.21 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.168 -0.773 . . . . 1.0 111.168 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.79 -62.19 1.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.921 0.391 . . . . 1.0 110.704 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.2 tt -53.44 -30.61 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.395 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.7 t -75.69 -40.15 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.777 -0.369 . . . . 1.0 111.425 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -59.82 -57.81 11.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.889 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.5 -42.55 99.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.46 -0.336 . . . . 1.0 111.462 -175.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.89 -1.87 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.505 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 58.58 65.73 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.982 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.8 mt -137.57 151.48 48.41 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.015 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 t -76.61 109.64 10.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.214 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -41.82 -52.52 3.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.917 0.389 . . . . 1.0 111.325 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.516 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 36.3 p -42.98 -45.66 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.033 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -71.2 -37.15 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.63 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' GLN . 64.5 t -60.94 -71.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.754 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.2 t -45.25 -37.2 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.814 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' SER . 52.8 m170 -73.7 -24.38 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.566 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 56' ' ' VAL . 66.3 tp60 -70.37 -48.14 57.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.504 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.34 -41.8 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -45.98 -66.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.662 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.6 tp -49.08 -69.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.393 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tp -45.07 -45.97 11.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.413 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -47.0 -54.4 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 1.0 111.161 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 40.7 t -56.52 -17.86 9.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.321 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 4.2 t -81.27 -9.73 12.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.692 -0.231 . . . . 1.0 110.863 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 65' ' ' SER . 1.2 m170 75.0 19.38 2.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.6 -0.273 . . . . 1.0 111.706 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.8 mt -92.39 -2.71 56.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.561 0.219 . . . . 1.0 110.962 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -154.55 149.41 12.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.954 0.407 . . . . 1.0 110.664 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -114.45 -165.26 1.0 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.913 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.91 125.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.998 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -88.02 132.54 34.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.41 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -78.42 118.86 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.854 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -138.2 118.88 14.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.135 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.2 -143.77 15.03 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.618 -0.993 . . . . 1.0 110.618 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.618 ' NE2' ' H ' ' A' ' 76' ' ' GLN . 3.2 mp0 -76.04 -30.62 58.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.665 0.269 . . . . 1.0 110.917 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -88.77 -168.24 2.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.888 0.375 . . . . 1.0 110.899 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -158.19 123.92 4.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.741 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.742 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.6 mp -89.36 117.65 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.132 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -76.27 155.86 33.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.531 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.2 t -170.29 155.35 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.68 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.2 mt -70.53 -149.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.354 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.489 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 4.8 p-10 -171.87 -67.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.471 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.489 ' H ' ' CG ' ' A' ' 83' ' ' ASP . 12.0 m-20 -78.36 108.15 11.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.507 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.6 pt -71.01 8.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.443 ' H ' ' C ' ' A' ' 84' ' ' ASP . 1.2 t-80 -57.92 -64.91 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.674 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 88' ' ' ALA . 27.0 m -64.55 -45.61 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.883 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.505 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -43.63 -48.36 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 1.0 110.936 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.3 p -76.53 -12.79 60.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' VAL . 12.6 tpt -79.54 -33.62 41.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.032 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 91' ' ' LEU . 11.3 mp -70.21 -49.94 45.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 178.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -54.22 -42.94 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.553 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.0 -26.61 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.473 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.8 -52.29 15.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.698 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.657 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.5 mp -71.76 -8.75 11.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.9 -55.84 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.497 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.488 179.885 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.359 . . . . 1.0 110.669 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 64.5 m -67.43 -60.54 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.292 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.571 ' H ' HD23 ' B' ' 13' ' ' LEU . 0.5 OUTLIER -92.42 -8.45 44.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.613 0.244 . . . . 1.0 110.825 -179.347 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -58.11 -38.38 76.35 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.666 -0.413 . . . . 1.0 110.285 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -52.35 -58.76 5.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.659 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.4 HG12 ' H ' ' B' ' 16' ' ' VAL . 3.7 p -66.32 -16.01 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.597 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.8 m -79.35 -19.41 50.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 1.0 110.544 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -80.15 -42.56 23.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.094 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 pt -64.63 -35.15 73.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.144 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -65.51 -43.76 89.08 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.197 -0.601 . . . . 1.0 109.516 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -45.38 -45.57 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.766 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.4 -29.69 70.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.747 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.599 HD23 ' N ' ' B' ' 24' ' ' GLY . 1.4 tt -58.07 140.12 53.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.888 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.599 ' N ' HD23 ' B' ' 23' ' ' LEU . . . 156.11 179.88 31.49 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 60.13 85.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.711 0.291 . . . . 1.0 110.81 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -42.02 -28.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.485 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -63.96 -9.17 14.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.722 0.296 . . . . 1.0 111.308 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.633 ' HE ' HD22 ' B' ' 63' ' ' LEU . 72.1 ttt-85 -64.52 -68.74 0.33 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.059 -178.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 79.3 mt -42.65 -50.4 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.103 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -40.08 -69.74 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.444 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 pt -68.9 -39.94 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.19 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.542 ' SD ' ' NH1' ' B' ' 28' ' ' ARG . 8.6 ttt -54.76 -38.85 67.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.781 -0.368 . . . . 1.0 110.589 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -65.46 -64.01 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.706 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.16 -31.99 67.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.805 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.9 tp -69.09 -16.5 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 1.0 110.344 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -70.26 -15.25 62.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.434 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 6.4 m -153.81 64.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.256 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 34.9 p -163.69 -173.43 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.676 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -174.96 117.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.23 -177.71 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.62 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 20.7 m -71.58 172.82 8.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.078 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.5 m -78.7 -31.4 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.663 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.81 -57.67 2.25 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -43.05 -52.01 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 1.0 111.1 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 16.2 tt -51.78 -32.42 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.888 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.6 t -71.49 -70.62 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.086 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -45.05 -48.13 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.914 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -53.4 -59.41 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.111 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.1 mt -74.33 9.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.034 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.504 ' N ' ' OD1' ' B' ' 50' ' ' ASN . 0.8 OUTLIER 61.71 64.87 0.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.695 0.283 . . . . 1.0 111.064 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 30.8 mt -133.76 144.37 49.02 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.904 -0.406 . . . . 1.0 109.904 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.487 ' C ' ' H ' ' B' ' 54' ' ' SER . 32.3 t -79.29 117.21 20.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.589 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -58.57 -0.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.296 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.487 ' H ' ' C ' ' B' ' 52' ' ' SER . 14.0 t -73.2 -44.54 59.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 1.0 110.478 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' B' ' 59' ' ' GLN . 62.6 t30 -85.36 -33.61 21.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.88 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' B' ' 59' ' ' GLN . 94.7 t -42.91 -77.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.115 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.9 t -39.28 -40.4 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.536 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -79.07 -27.24 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.677 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.6 OUTLIER -67.59 -50.63 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.696 -178.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.93 -48.14 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 1.0 110.498 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -43.24 -48.29 6.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.784 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.463 ' C ' HD23 ' B' ' 62' ' ' LEU . 1.8 tt -54.99 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.057 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.633 HD22 ' HE ' ' B' ' 28' ' ' ARG . 28.7 mt -42.32 -52.8 4.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -44.35 -64.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.126 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.9 m -50.07 -34.72 22.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.333 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.459 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 26.5 t -77.69 -4.8 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.8 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.459 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 4.3 m80 76.28 19.94 1.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.867 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 43.3 mt -85.41 -19.36 31.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.601 0.238 . . . . 1.0 110.632 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 m -149.47 143.54 18.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.522 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -106.84 -166.06 1.13 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.154 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -166.86 170.03 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.616 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -150.18 139.79 21.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.367 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -83.18 115.64 22.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.63 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' B' ' 76' ' ' GLN . 17.8 tt0 -140.79 139.86 34.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.378 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.88 -79.29 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' B' ' 74' ' ' GLN . 1.6 pm0 -159.4 -41.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.479 ' O ' ' SD ' ' B' ' 78' ' ' MET . 18.8 p -64.69 -167.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.912 177.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.479 ' SD ' ' O ' ' B' ' 77' ' ' SER . 10.9 mmt -139.57 105.02 5.07 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.717 HD12 ' N ' ' B' ' 79' ' ' ILE . 1.6 mp -79.23 112.07 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.222 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -81.17 142.43 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.373 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 15.3 t -164.33 123.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.649 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.506 ' H ' ' CD2' ' B' ' 82' ' ' LEU . 0.7 OUTLIER -74.32 -167.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.611 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -151.43 -31.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.595 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -70.43 82.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.473 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 26.2 pt -75.39 2.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.451 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -79.07 -54.03 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.648 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.406 ' H ' HG22 ' B' ' 87' ' ' VAL . 10.5 m -62.04 -30.11 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.705 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.53 -49.95 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.498 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 49.3 p -67.63 -46.48 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 62.4 mtt -45.61 -31.85 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.626 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' B' ' 94' ' ' ALA . 15.1 tp -78.97 -61.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.184 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -45.83 -34.76 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.591 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -70.78 -30.14 66.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.462 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -70.96 -38.93 72.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.628 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.8 mm -78.27 -9.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.859 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -88.75 -35.57 16.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.737 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.69 -179.219 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.1 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.774 0.321 . . . . 1.0 110.367 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.0 m -85.19 -50.55 7.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.166 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 mt -87.53 -7.03 58.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.133 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.67 -38.38 72.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.932 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -76.22 -48.07 21.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.97 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 t -67.83 -22.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 1.0 110.48 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.4 m -75.19 -30.4 60.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.369 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.8 -27.52 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.543 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.5 mt -64.55 -57.41 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.46 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 63.8 m-85 -52.08 -41.54 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.929 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' NZ ' ' CE2' ' B' ' 26' ' ' TYR . 91.9 mttt -81.47 0.51 37.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.976 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -57.33 11.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.346 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -62.34 -167.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.853 -177.54 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -169.86 -108.51 0.21 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.806 -0.917 . . . . 1.0 110.806 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.92 112.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 1.0 110.419 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.46 ' C ' ' H ' ' A' ' 28' ' ' ARG . 14.2 m-85 -39.46 -34.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.773 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.518 ' ND2' ' OE1' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -59.89 -1.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.864 -0.335 . . . . 1.0 110.881 -179.205 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' CZ ' ' SD ' ' A' ' 32' ' ' MET . 4.3 tmt_? -58.89 -49.46 77.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.344 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.37 -45.05 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.764 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -52.44 -72.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.538 HG23 ' N ' ' A' ' 32' ' ' MET . 21.2 tt -51.85 -43.57 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.952 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.538 ' N ' HG23 ' A' ' 31' ' ' ILE . 28.0 ttt -63.26 -19.55 64.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.853 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -69.19 -70.6 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.084 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -52.76 -30.94 35.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.63 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.524 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -64.85 -28.27 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.576 -0.528 . . . . 1.0 109.576 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -50.98 -16.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.193 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 37' ' ' VAL . 6.4 p -163.91 73.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.625 0.726 . . . . 1.0 110.393 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 m -171.72 165.11 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.511 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -155.08 121.05 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.165 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.96 -177.64 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.701 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 m -80.32 -170.9 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.335 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.27 -44.9 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.48 -26.91 68.75 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.75 -30.72 70.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 1.0 110.375 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.4 mm -61.79 -28.98 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.853 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 50' ' ' ASN . 13.4 t -71.35 -69.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.082 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -54.44 -50.28 68.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.994 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -40.04 -66.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.48 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.61 23.54 12.62 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.583 0.216 . . . . 1.0 111.583 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 46' ' ' SER . 47.9 t-20 57.73 96.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.299 177.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 46' ' ' SER . 58.0 tp -164.38 152.23 12.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.951 177.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 54' ' ' SER . 23.8 p -78.9 107.45 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.653 0.263 . . . . 1.0 110.662 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.14 0.65 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.718 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 52' ' ' SER . 10.5 m -73.11 -48.03 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.621 ' ND2' ' N ' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -80.74 -30.47 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.727 -179.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.621 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 84.9 t -46.55 -75.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.614 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -43.34 -41.84 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.966 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 58.8 t-80 -70.53 -24.12 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.749 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.518 ' OE1' ' ND2' ' A' ' 27' ' ' ASN . 15.9 tt0 -79.34 -38.55 34.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.392 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.92 -47.76 81.85 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.029 -0.269 . . . . 1.0 111.203 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' NZ ' ' CB ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -44.75 -41.94 7.31 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.924 -0.31 . . . . 1.0 110.603 -178.342 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -59.76 -70.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.051 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.7 mt -41.67 -54.66 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.987 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -51.06 -49.89 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.169 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -57.62 -34.76 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.253 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 66' ' ' VAL . 25.4 t -77.79 -1.5 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.085 -0.246 . . . . 1.0 110.845 -177.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 t60 74.46 22.68 2.08 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.971 0.359 . . . . 1.0 111.971 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.2 mt -94.34 -14.22 25.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.553 0.215 . . . . 1.0 110.864 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.5 t -149.0 139.19 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.932 0.396 . . . . 1.0 110.719 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -110.07 -178.28 3.48 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.205 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.85 172.38 7.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.4 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -155.34 153.75 30.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.816 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -104.4 118.38 36.47 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.9 -0.591 . . . . 1.0 109.888 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -160.81 59.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.422 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.48 72.91 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.072 -1.211 . . . . 1.0 110.072 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 54.17 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 1.0 110.238 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -63.88 161.26 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.945 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -112.33 128.94 56.43 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.985 -0.376 . . . . 1.0 109.985 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.8 mt -86.44 124.19 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.46 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -83.99 150.73 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.693 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.8 t -157.06 148.23 21.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.653 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.94 -156.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.547 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 2.6 p-10 -165.92 -69.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.633 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 22.2 p-10 -70.81 100.18 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.678 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.8 pt -68.68 9.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.669 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' A' ' 84' ' ' ASP . 60.0 t60 -76.04 -26.93 57.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.725 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -78.74 -32.72 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.729 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.67 -53.51 18.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.773 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.587 HG23 ' N ' ' A' ' 90' ' ' MET . 6.3 t -71.98 -51.21 23.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.702 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.587 ' N ' HG23 ' A' ' 89' ' ' THR . 28.3 ttt -39.14 -41.92 0.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.633 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.77 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 1.0 110.481 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 44.6 tttp -49.47 -38.11 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.255 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -75.65 -42.19 52.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 1.0 111.268 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.77 -34.51 71.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.24 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.3 tt -80.77 -10.06 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.939 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 92' ' ' LYS . 28.7 m170 -74.69 -60.06 2.45 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.676 -0.49 . . . . 1.0 109.676 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.494 179.719 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 C--O 1.23 0.076 0 N-CA-C 109.738 -0.467 . . . . 1.0 109.738 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.0 m -66.62 -59.85 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.306 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.54 -30.64 71.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.345 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -58.01 -25.95 61.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.611 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -60.74 -66.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.424 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.405 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 12.1 m -57.91 -14.07 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.607 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -82.24 -18.09 43.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.461 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -77.48 -36.49 52.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.842 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.2 pt -69.16 -37.5 76.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.237 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 59.9 m-85 -71.39 -39.7 71.0 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.243 -0.583 . . . . 1.0 110.36 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -69.0 -8.14 42.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.664 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.77 -51.82 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.958 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.98 156.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.958 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' B' ' 25' ' ' ASP . . . -169.82 163.51 36.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.628 -0.989 . . . . 1.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 24' ' ' GLY . 42.4 m-20 48.81 -179.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 1.0 110.564 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 7.0 m-85 -99.69 -53.22 3.25 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.725 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.516 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 3.3 t30 -69.91 2.62 3.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.615 -176.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -60.26 -49.72 76.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.754 -0.378 . . . . 1.0 110.988 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.536 HG23 ' N ' ' B' ' 30' ' ' ARG . 19.9 tt -67.56 -43.51 87.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.983 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.536 ' N ' HG23 ' B' ' 29' ' ' ILE . 82.9 mtp180 -46.1 -32.09 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.805 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.414 ' CD1' ' OE1' ' B' ' 59' ' ' GLN . 96.0 mt -63.23 -61.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 1.0 110.487 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 49.0 mtt -49.61 -29.53 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.851 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.9 -30.44 58.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.857 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -76.24 -40.41 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.62 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 mt -72.22 -20.53 61.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.553 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.449 ' O ' HG13 ' B' ' 37' ' ' VAL . 20.3 t -60.57 -19.99 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.395 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.449 HG13 ' O ' ' B' ' 36' ' ' SER . 13.3 m -157.15 58.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.259 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 5.1 m -167.23 171.75 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.604 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -156.08 122.07 5.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.171 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.07 179.11 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.668 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.9 t -77.93 -179.62 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.318 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.403 HG23 ' N ' ' B' ' 43' ' ' GLY . 14.4 m -79.13 -35.49 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.6 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.403 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -79.01 -46.76 8.08 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -47.09 -69.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 1.0 110.523 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 13.3 tt -44.72 -36.09 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -71.46 -48.36 49.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.071 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.411 ' C ' ' ND1' ' B' ' 47' ' ' HIS . 18.3 t-80 -74.57 -50.73 16.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.804 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -54.71 -49.81 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.098 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 tp -74.77 10.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.012 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 61.74 52.39 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.553 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -124.16 148.42 47.24 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 176.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.485 ' C ' ' H ' ' B' ' 54' ' ' SER . 14.9 t -77.32 118.06 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.313 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -54.98 -4.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.357 . . . . 1.0 111.255 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.485 ' H ' ' C ' ' B' ' 52' ' ' SER . 12.3 t -83.69 -11.59 57.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.34 . . . . 1.0 110.589 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -102.38 -50.27 3.65 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.108 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.768 HG13 ' H ' ' B' ' 57' ' ' SER . 8.8 p -49.48 -64.93 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.958 -176.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.768 ' H ' HG13 ' B' ' 56' ' ' VAL . 79.6 p -42.28 -51.2 4.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 1.0 111.1 -178.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . 0.462 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 22.6 t-80 -66.97 -25.93 66.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.603 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' B' ' 56' ' ' VAL . 42.1 tt0 -69.67 -55.68 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.166 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 44.2 mt -51.36 -41.86 60.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 1.0 110.92 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -43.11 -59.13 2.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.066 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.486 ' C ' HD23 ' B' ' 62' ' ' LEU . 3.6 tt -59.94 -72.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.488 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.55 ' CD1' ' H ' ' B' ' 63' ' ' LEU . 10.1 mp -37.94 -56.28 1.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.362 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -44.98 -36.47 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.087 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.514 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 25.8 p -75.58 -25.87 57.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.066 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.425 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 3.9 t -77.91 -7.51 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.936 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' B' ' 65' ' ' SER . 6.8 m-70 73.45 19.71 3.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.566 0.222 . . . . 1.0 111.483 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 35.1 mt -92.98 -11.11 34.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.648 -0.251 . . . . 1.0 110.756 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 23.3 m -149.48 143.92 18.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.891 0.377 . . . . 1.0 110.74 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -121.3 -163.74 1.07 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.101 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.03 177.76 4.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 1.0 111.094 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -154.93 149.15 26.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.349 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -79.21 110.53 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.815 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' B' ' 75' ' ' GLY . 0.5 OUTLIER -122.34 89.64 3.15 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.157 -0.474 . . . . 1.0 109.956 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 52.72 109.5 0.01 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.467 ' CD ' ' N ' ' B' ' 77' ' ' SER . 3.7 tm0? 53.38 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 1.0 110.976 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 75' ' ' GLY . 97.1 p -66.65 -168.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.777 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.3 mtt -146.97 119.96 8.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.068 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 91.2 mt -82.25 120.09 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.786 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -82.11 151.64 26.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.424 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.7 p -170.21 159.1 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tp -65.45 -157.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -173.93 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 1.0 110.797 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.23 110.19 13.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.937 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.46 -24.47 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.529 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -61.07 -63.66 1.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.607 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 90.1 t -54.15 -52.15 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.483 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.39 -49.82 6.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.935 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.9 m -70.79 -31.31 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.877 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.1 tpt -51.96 -32.78 34.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.765 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 91' ' ' LEU . 10.3 mp -76.79 -50.6 13.13 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' B' ' 96' ' ' HIS . 31.5 mmtm -44.83 -45.47 10.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.633 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.75 -28.81 67.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 -53.93 16.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.127 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.654 HD12 ' N ' ' B' ' 95' ' ' ILE . 1.6 mp -69.05 -7.27 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' B' ' 92' ' ' LYS . 40.0 m170 -84.96 -33.97 22.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.332 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 76.9 t60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.736 -179.842 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 11' ' ' ASP . 62.0 t0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.715 0.293 . . . . 1.0 110.65 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -65.68 -58.84 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.692 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tp -65.11 -36.13 83.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.534 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -55.58 -35.87 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.979 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -72.87 -43.82 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.402 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.6 -23.7 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.717 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 p -82.3 -21.06 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.309 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.23 -22.25 48.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.51 -68.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.656 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -53.26 -36.93 61.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.869 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -70.86 -19.5 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.631 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.9 25.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.405 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 23' ' ' LEU . 9.9 mp -63.38 175.02 1.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.107 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.73 -117.27 0.69 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.09 149.7 49.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.734 0.302 . . . . 1.0 110.672 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -51.2 -20.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.862 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 1.4 m120 -78.43 -19.61 52.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.994 -178.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.432 ' O ' HG22 ' A' ' 31' ' ' ILE . 24.9 mmt180 -58.14 -71.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.027 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.522 HG23 ' N ' ' A' ' 30' ' ' ARG . 19.2 tt -39.54 -43.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.87 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' N ' HG23 ' A' ' 29' ' ' ILE . 94.4 mtt-85 -46.91 -14.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 1.0 111.092 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' ILE . 4.1 tp -71.96 -36.69 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 1.0 110.456 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 43.4 ttm -74.74 -39.51 61.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.868 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -51.27 -48.7 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.994 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -78.64 -40.81 33.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.786 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.9 tp -66.79 -26.08 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.659 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.9 p -70.01 -17.76 63.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.704 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.413 ' O ' ' OG ' ' A' ' 38' ' ' SER . 63.4 t -84.83 -46.6 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.881 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 12.9 m -167.4 -147.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.821 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -138.67 159.53 41.87 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.227 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.92 -179.56 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.733 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.6 t -73.02 171.9 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.576 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -69.4 -45.41 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.856 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.19 -47.88 42.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -45.08 -27.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 1.0 110.684 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.3 mt -81.88 -38.43 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 t -70.76 -55.58 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.176 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -61.07 -53.51 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.48 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' A' ' 50' ' ' ASN . 7.0 tt0 -67.71 -68.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.294 -177.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -55.07 -6.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.299 -177.689 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.474 ' H ' ' C ' ' A' ' 48' ' ' GLN . 19.7 t30 61.54 66.56 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.792 0.329 . . . . 1.0 110.926 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.0 mt -139.35 151.67 46.55 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.841 -0.429 . . . . 1.0 109.841 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 54' ' ' SER . 58.8 m -77.81 114.11 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.638 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.477 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.7 pm0 -55.89 -5.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.904 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 52' ' ' SER . 74.1 m -76.97 -38.43 53.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.242 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' GLN . 2.1 m-20 -82.54 -33.55 28.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.486 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 59' ' ' GLN . 99.5 t -46.71 -69.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.631 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -42.61 -39.93 2.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.073 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -75.43 -31.6 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.156 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 56' ' ' VAL . 8.9 tt0 -63.26 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.561 . . . . 1.0 111.005 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 13.3 mt -50.18 -45.05 53.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.886 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -46.68 -64.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.336 . . . . 1.0 110.669 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 tp -40.98 -69.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.088 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.5 mp -46.77 -44.74 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.448 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' NZ ' ' CB ' ' A' ' 64' ' ' LYS . 2.6 ttmp? -63.29 -41.31 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.68 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 p -67.75 -21.89 65.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.422 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.512 ' O ' HG12 ' A' ' 66' ' ' VAL . 71.8 t -81.0 -4.74 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.461 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 t60 74.23 16.25 3.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.49 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.457 HD23 ' C ' ' A' ' 68' ' ' LEU . 1.8 tt -82.99 -77.27 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.119 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.63 162.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.88 0.372 . . . . 1.0 110.79 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -133.41 177.57 7.58 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.823 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -160.93 121.37 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.968 0.413 . . . . 1.0 111.146 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -87.23 156.73 19.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.194 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -118.79 118.67 32.22 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.276 -0.42 . . . . 1.0 109.947 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -161.08 73.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.076 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 125.0 87.14 0.7 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 178.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.448 ' N ' ' CD ' ' A' ' 76' ' ' GLN . 26.7 mp0 50.56 -88.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 1.0 110.817 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' GLY . 66.9 m -70.91 -167.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.569 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.7 mtt -129.86 176.47 8.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mt -142.91 105.07 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.933 0.397 . . . . 1.0 110.531 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -67.45 146.09 54.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.652 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -160.73 147.09 15.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.005 0.431 . . . . 1.0 111.234 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -89.62 95.82 10.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.67 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.37 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.869 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -42.87 100.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.129 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 85' ' ' ILE . 20.1 pt -77.46 0.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.664 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -73.29 -38.31 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.698 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.2 t -71.51 -34.65 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.686 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.84 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.632 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -80.54 -59.36 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.801 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 26.2 ttt -45.21 -36.96 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.245 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.9 tp -74.76 -32.67 62.13 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.525 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -66.28 -60.21 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.26 -28.01 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.777 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.36 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.573 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 95' ' ' ILE . 73.7 mt -79.6 -7.21 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.507 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -77.95 -38.94 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.675 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 18.8 t-160 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.6 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.771 0.32 . . . . 1.0 110.705 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 66.7 p -70.14 -61.05 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.842 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.435 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -47.9 -55.3 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.404 -178.72 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -51.7 -38.93 57.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.874 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -59.38 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.498 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.72 -22.32 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.493 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.7 m -74.55 -20.42 59.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.285 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -77.47 -35.03 54.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.426 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 33.3 mt -59.01 -63.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.342 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -52.9 -42.55 65.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.616 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.19 -40.97 91.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.004 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.533 ' C ' ' H ' ' B' ' 24' ' ' GLY . . . -42.35 -44.78 4.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.667 0.27 . . . . 1.0 111.106 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.567 HD12 ' N ' ' B' ' 23' ' ' LEU . 8.7 mp -66.76 27.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.645 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' B' ' 22' ' ' ALA . . . -47.33 -49.28 20.02 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.821 -0.911 . . . . 1.0 110.821 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.415 ' OD2' ' OE1' ' B' ' 59' ' ' GLN . 1.0 OUTLIER -76.36 166.49 23.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 1.0 110.457 179.782 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.424 ' C ' ' H ' ' B' ' 28' ' ' ARG . 88.8 m-85 -100.07 -53.97 3.01 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.546 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -64.79 3.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.473 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.519 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 29.2 ttm180 -58.96 -44.43 91.48 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.688 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 74.0 mt -65.65 -48.92 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.768 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -46.24 -48.04 17.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.602 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 71.4 mt -76.68 -58.18 4.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.792 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' B' ' 32' ' ' MET . 1.7 tmt? -45.55 -35.17 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.763 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.35 -67.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.848 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.521 ' O ' HD23 ' B' ' 34' ' ' LEU . 0.8 OUTLIER -53.16 -32.91 50.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.145 0.497 . . . . 1.0 110.276 -178.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.8 OUTLIER -70.71 -44.85 66.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.401 -179.381 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -40.45 -21.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.727 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.2 p -158.43 72.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.789 0.804 . . . . 1.0 110.667 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' B' ' 39' ' ' GLU . 27.6 t -172.25 -160.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.557 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.401 ' N ' ' OG ' ' B' ' 38' ' ' SER . 6.2 pt-20 -175.66 129.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.486 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.08 166.73 25.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.633 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.406 ' H ' ' HB2' ' B' ' 44' ' ' HIS . 50.4 m -83.5 -178.81 7.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.678 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.6 -49.9 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.096 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.0 -34.79 26.03 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.406 ' HB2' ' H ' ' B' ' 41' ' ' SER . 39.5 m170 -55.34 -57.18 12.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.725 0.298 . . . . 1.0 110.932 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 tt -57.18 -32.47 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.936 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 54.1 p -72.09 -67.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.288 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.521 ' N ' ' OG ' ' B' ' 46' ' ' SER . 23.6 t60 -55.8 -53.6 54.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.432 -177.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.471 ' C ' ' H ' ' B' ' 50' ' ' ASN . 30.5 tt0 -52.85 -61.11 2.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.167 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.482 ' O ' HD23 ' B' ' 49' ' ' LEU . 0.9 OUTLIER -66.52 7.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.422 -177.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.471 ' H ' ' C ' ' B' ' 48' ' ' GLN . 13.6 m-20 58.25 74.23 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.788 -0.365 . . . . 1.0 110.693 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tp -152.33 155.95 38.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.113 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.4 p -79.36 115.26 18.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.559 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.19 2.28 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.013 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 77.5 p -73.36 -38.28 65.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.31 -0.404 . . . . 1.0 111.082 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -105.14 -5.76 20.48 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.541 -0.3 . . . . 1.0 111.673 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.616 HG13 ' N ' ' B' ' 57' ' ' SER . 8.6 p -60.71 -56.55 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.962 -177.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.616 ' N ' HG13 ' B' ' 56' ' ' VAL . 11.2 t -49.76 -52.76 29.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.721 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -56.65 -29.67 62.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.654 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.415 ' OE1' ' OD2' ' B' ' 25' ' ' ASP . 8.4 tp-100 -70.78 -50.78 32.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.123 -178.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 mt -59.38 -48.2 82.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.983 -0.287 . . . . 1.0 111.009 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -45.36 -42.94 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.885 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 tp -56.19 -62.45 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.201 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.547 HD12 ' N ' ' B' ' 63' ' ' LEU . 10.5 mp -47.62 -48.51 28.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.199 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -49.31 -29.56 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.254 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -80.81 -45.49 16.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.422 ' H ' HG23 ' B' ' 66' ' ' VAL . 9.2 t -56.39 -13.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.439 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.466 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 15.6 t-80 78.94 18.55 0.86 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.143 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 30.6 mt -87.97 -73.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.773 0.32 . . . . 1.0 110.384 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -82.08 132.81 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.9 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -103.81 135.82 44.64 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.456 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.49 164.84 13.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.895 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -145.36 125.59 13.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.868 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.12 106.62 18.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.67 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.417 ' OE1' HD12 ' B' ' 79' ' ' ILE . 12.1 pt20 -138.34 136.39 36.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.101 -0.499 . . . . 1.0 109.907 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.56 -157.46 1.53 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.488 -1.045 . . . . 1.0 110.488 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -64.15 -55.47 21.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.811 0.338 . . . . 1.0 110.54 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.436 ' C ' ' SD ' ' B' ' 78' ' ' MET . 22.7 t -72.29 -167.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.593 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.586 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -152.05 125.15 8.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 1.0 109.859 179.252 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.417 HD12 ' OE1' ' B' ' 74' ' ' GLN . 17.7 mt -98.33 129.03 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.0 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.41 146.52 23.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.369 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 38.9 p -155.16 132.44 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.821 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.82 124.29 33.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.174 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.406 ' O ' HD12 ' B' ' 85' ' ' ILE . 1.4 m-20 -79.66 -27.34 40.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.922 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.48 78.44 9.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.875 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.682 ' N ' HD12 ' B' ' 85' ' ' ILE . 2.1 mp -62.45 -26.61 40.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 1.0 109.913 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -46.92 -46.42 21.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.851 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.09 -39.06 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.808 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.16 91.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.744 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 45.7 p -74.63 -48.52 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.84 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 24.5 ttt -54.44 -28.92 47.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.389 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 31.0 tp -73.64 -37.74 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.374 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -61.96 -49.43 76.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.672 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -57.52 -31.69 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.881 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.64 66.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.674 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.425 ' O ' HG22 ' B' ' 95' ' ' ILE . 73.4 mt -79.29 -11.67 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.666 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -73.66 -33.37 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.676 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.728 -179.814 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.7 t0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.87 0.367 . . . . 1.0 110.167 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -67.61 -58.51 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.4 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.482 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -49.58 -48.41 48.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.802 179.123 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' THR . 31.1 tt0 -45.15 -45.14 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.936 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -48.95 -21.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.034 0.445 . . . . 1.0 110.744 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.5 t -89.64 -23.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.483 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' GLU . 8.6 m -78.26 -17.36 56.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.105 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.78 -44.46 8.5 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.702 -0.227 . . . . 1.0 111.205 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 20' ' ' PHE . 17.6 tt -57.59 -38.28 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.858 -0.337 . . . . 1.0 111.079 -177.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.416 ' N ' HG23 ' A' ' 19' ' ' ILE . 31.3 m-85 -79.85 -38.48 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.152 -0.314 . . . . 1.0 110.152 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -67.52 -21.54 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 1.0 110.512 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.74 -51.04 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.664 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.5 mt -56.97 167.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.479 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.03 -8.68 0.06 OUTLIER Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.103 -0.799 . . . . 1.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -69.3 115.97 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 1.0 110.771 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.716 ' H ' HH21 ' A' ' 28' ' ' ARG . 45.6 t80 -88.53 -73.42 0.5 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.543 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -104.38 1.21 29.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.188 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.716 HH21 ' H ' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -80.87 -6.52 58.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.897 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.23 -44.78 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.08 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -40.33 -44.09 1.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.161 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.49 -51.68 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.398 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 ttt -53.51 -33.7 55.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.499 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.89 -51.88 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.417 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.31 -37.27 86.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -63.02 -36.15 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 1.0 109.778 179.68 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -66.84 -21.33 66.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.055 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -77.28 -36.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.957 -0.297 . . . . 1.0 110.949 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -171.27 -141.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.932 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -139.51 153.78 47.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.375 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.16 -177.41 5.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.504 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.42 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 6.4 p -71.98 173.95 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.095 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 43' ' ' GLY . 19.4 m -81.65 -38.52 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.184 -178.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -81.07 -49.94 5.37 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.534 -0.626 . . . . 1.0 111.534 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.42 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -43.79 -37.32 2.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.692 0.282 . . . . 1.0 111.184 -178.344 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.41 -27.18 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.077 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 43' ' ' GLY . 48.4 t -73.94 -61.81 1.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.294 -177.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -61.67 -53.01 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.24 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -53.28 -46.19 69.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.91 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 tp -80.02 7.38 9.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.645 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.4 t30 58.68 58.33 3.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.762 0.315 . . . . 1.0 110.768 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -141.24 158.62 43.65 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.209 -0.45 . . . . 1.0 109.932 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 54' ' ' SER . 55.3 p -80.19 118.02 21.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.627 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -64.17 1.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.981 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.488 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 5.0 m -85.59 -22.1 28.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.619 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 1.2 m-20 -90.82 -42.77 10.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.262 -178.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.679 HG23 ' H ' ' A' ' 57' ' ' SER . 31.3 m -50.85 -61.02 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.979 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.679 ' H ' HG23 ' A' ' 56' ' ' VAL . 54.9 p -41.88 -53.23 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.699 0.285 . . . . 1.0 111.281 -178.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 54' ' ' SER . 21.5 m80 -67.45 -28.33 67.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.635 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -67.02 -53.73 28.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.892 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.3 mt -50.01 -38.34 37.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.442 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -45.42 -50.37 12.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.602 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.05 -70.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.391 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.9 mp -41.78 -62.1 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.964 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -48.3 -47.65 36.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.998 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 t -65.1 -36.94 85.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.236 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 66' ' ' VAL . 61.5 t -77.44 -2.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.893 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.475 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 3.7 m80 77.85 22.55 0.85 Allowed 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.013 0.375 . . . . 1.0 112.013 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.1 mt -87.92 -15.29 37.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.571 0.224 . . . . 1.0 110.807 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.2 t -144.82 135.02 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.828 0.347 . . . . 1.0 110.591 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -107.98 129.1 55.14 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.372 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 -179.62 6.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.583 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -155.16 137.09 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.519 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -71.91 103.39 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.874 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -136.12 93.62 2.94 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.24 -151.56 42.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.549 ' CD ' ' H ' ' A' ' 76' ' ' GLN . 1.7 mp0 -62.29 -59.33 5.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 1.0 110.832 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.8 m -78.5 -167.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.564 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mmt -132.44 119.49 20.69 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 96.9 mt -79.1 119.86 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 1.0 110.509 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -82.3 129.3 34.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.79 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -145.16 145.5 31.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.483 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -82.41 -176.81 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.521 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -159.25 -45.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.45 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -74.55 88.21 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.637 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.5 mm -63.27 -17.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.576 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.432 ' N ' ' ND1' ' A' ' 86' ' ' HIS . 3.1 m80 -57.87 -52.24 66.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.72 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.87 -36.79 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.653 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.64 -34.51 72.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.615 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.7 m -74.3 -46.06 43.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.774 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 mmt -55.42 -28.84 56.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.936 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 91' ' ' LEU . 2.2 tt -69.55 -61.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 1.0 110.224 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -46.17 -49.4 16.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.667 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -47.58 -34.29 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.502 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -68.92 -45.22 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.634 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 95' ' ' ILE . 86.3 mt -79.76 -7.41 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.6 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -75.07 -53.02 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.67 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.7 -179.785 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.797 0.332 . . . . 1.0 110.626 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -61.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.013 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' B' ' 15' ' ' ARG . 11.1 tp -51.32 -54.95 21.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.172 -177.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -50.84 -11.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.871 -0.332 . . . . 1.0 111.05 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' B' ' 13' ' ' LEU . 56.6 ttm-85 -67.64 -57.74 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.793 -0.363 . . . . 1.0 110.403 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.512 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 12.6 m -64.96 -15.28 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.562 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.416 ' CG2' ' CE1' ' A' ' 26' ' ' TYR . 89.6 m -74.92 -26.25 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.332 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -78.66 -37.02 42.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.734 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 98.9 mt -56.46 -67.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.652 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.512 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 9.8 m-85 -50.29 -37.81 38.11 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.534 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -65.54 -36.56 84.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.756 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.58 -47.73 49.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.387 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.24 162.64 5.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.369 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.19 -23.08 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 15.7 p-10 -72.66 138.11 46.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 1.0 110.71 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -98.91 -73.34 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.082 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -104.27 -4.27 23.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.085 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.495 ' N ' ' CD ' ' B' ' 28' ' ' ARG . 10.7 mpt_? -78.83 -8.44 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.284 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' B' ' 31' ' ' ILE . 17.1 tt -71.88 -29.59 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.415 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -40.57 -21.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.336 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' B' ' 29' ' ' ILE . 9.7 pt -70.24 -40.6 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.889 -0.324 . . . . 1.0 110.424 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.451 ' N ' ' O ' ' B' ' 29' ' ' ILE . 71.4 mmm -62.71 -26.24 68.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.49 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -68.43 -68.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.013 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -50.83 -31.05 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.749 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.515 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -63.55 -32.01 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.107 0.479 . . . . 1.0 109.823 -179.568 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -49.76 -13.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.458 HG22 ' O ' ' B' ' 37' ' ' VAL . 1.7 p -172.11 86.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.38 0.609 . . . . 1.0 110.806 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' B' ' 37' ' ' VAL . 1.8 m 163.86 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.532 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -171.93 134.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -159.32 -178.36 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.665 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 45.0 m -79.13 -179.04 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.633 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.7 p -78.77 -35.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.494 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.63 -54.98 2.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -44.86 -57.55 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.334 . . . . 1.0 110.817 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 tt -48.19 -28.65 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.788 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.9 t -77.41 -59.11 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.957 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -53.31 -50.45 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.043 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -53.14 -53.27 52.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.916 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 39.1 mt -79.34 9.48 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.295 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 56.8 64.77 1.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.761 0.315 . . . . 1.0 111.044 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.8 mt -141.61 156.14 45.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.139 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 37.9 m -81.51 123.56 28.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.654 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -48.19 -54.64 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.929 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.441 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 45.5 t -52.89 -34.93 57.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.203 -178.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -73.29 -65.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.092 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.608 HG13 ' H ' ' B' ' 57' ' ' SER . 6.3 p -50.82 -58.33 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.726 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.608 ' H ' HG13 ' B' ' 56' ' ' VAL . 28.6 t -41.76 -49.91 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 1.0 111.257 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' B' ' 54' ' ' SER . 1.9 m80 -65.62 -22.79 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.652 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' B' ' 56' ' ' VAL . 5.2 tt0 -74.26 -43.01 58.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.885 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.9 mt -55.47 -38.51 69.18 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.536 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -46.65 -52.75 13.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.423 ' O ' HD23 ' B' ' 62' ' ' LEU . 1.2 tt -54.45 -62.83 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.376 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.529 ' N ' HD22 ' B' ' 63' ' ' LEU . 4.0 mm? -47.3 -54.61 10.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.511 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -65.1 -37.28 86.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.281 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.4 p -72.85 8.37 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.23 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.505 ' O ' HG12 ' B' ' 66' ' ' VAL . 82.2 t -124.88 -3.3 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.712 -0.222 . . . . 1.0 110.533 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' B' ' 66' ' ' VAL . 0.9 OUTLIER 85.77 19.62 0.1 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.348 176.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.419 HD12 HD13 ' B' ' 63' ' ' LEU . 35.3 mt -91.16 -13.49 32.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.626 0.25 . . . . 1.0 110.536 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 85.2 t -147.57 143.42 19.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.84 0.352 . . . . 1.0 110.601 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -124.19 111.06 15.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.157 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.81 155.24 19.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.078 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -141.69 163.38 33.06 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.913 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -139.02 127.55 23.08 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.059 0.457 . . . . 1.0 110.538 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -160.24 67.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.096 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.34 -61.72 0.41 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.578 -1.009 . . . . 1.0 110.578 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -164.42 -88.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 84.9 p -62.37 179.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.98 -0.378 . . . . 1.0 109.98 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.6 mpt? -111.08 111.3 22.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.805 0.336 . . . . 1.0 110.369 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 mm -82.86 103.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.737 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -68.9 146.9 52.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.598 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -153.95 138.82 17.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.704 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.57 HD22 ' N ' ' B' ' 82' ' ' LEU . 2.9 mm? -81.06 94.44 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.179 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -71.98 -36.67 69.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.365 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.82 95.44 8.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.515 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.1 -16.45 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.777 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -56.13 -57.37 12.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.695 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.56 -40.69 87.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.859 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.41 83.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.671 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.7 m -74.74 -35.11 62.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 5.8 tpt -63.02 -27.31 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.613 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.7 tp -70.97 -49.9 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.433 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -59.54 -38.59 81.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.507 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.16 -32.67 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.715 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.3 -54.83 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.732 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.471 ' O ' HG22 ' B' ' 95' ' ' ILE . 92.8 mt -70.1 -7.53 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.591 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -75.33 -67.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.602 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 66.5 m80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.331 179.404 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.802 0.334 . . . . 1.0 110.75 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 13' ' ' LEU . 8.8 t -72.82 -45.68 57.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.027 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.556 ' N ' HG23 ' A' ' 12' ' ' THR . 10.7 tp -44.68 -56.02 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 1.0 110.871 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -48.82 -54.12 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.812 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -56.71 -37.31 70.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.799 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.9 t -68.76 -25.92 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.995 0.426 . . . . 1.0 110.408 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.9 m -72.77 -18.52 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.368 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -78.84 -37.88 39.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.473 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 73.6 mt -56.5 -62.07 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -56.21 -44.02 79.09 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -66.0 -15.22 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.777 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -70.54 -50.83 33.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 1.0 110.465 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' B' ' 20' ' ' PHE . 13.7 mt -44.0 145.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.87 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -158.01 125.67 1.58 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.516 -1.034 . . . . 1.0 110.516 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' GLY . 60.3 m-20 56.98 114.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 1.0 110.653 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -71.59 -13.92 61.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.745 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -76.56 -15.49 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.9 ttt-85 -76.69 -33.3 58.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.051 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -46.26 -51.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.713 0.292 . . . . 1.0 110.497 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -45.49 -37.46 5.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.922 0.392 . . . . 1.0 110.464 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' LEU . 20.8 mt -74.94 -60.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.377 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 ttm -41.17 -41.26 1.76 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.53 -38.43 89.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.274 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.1 tp -65.31 -37.48 87.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 37' ' ' VAL . 13.4 mt -66.28 -30.2 70.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.479 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -46.73 -21.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.469 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 37' ' ' VAL . 3.4 p -177.06 88.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.088 178.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' GLU . 89.2 p -170.18 -64.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.986 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 38' ' ' SER . 57.4 mt-10 59.37 116.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.386 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.86 -177.38 6.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.673 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 25.9 t -70.96 171.87 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.446 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 t -79.85 -37.16 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.966 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.19 -64.42 1.65 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.269 -0.732 . . . . 1.0 111.269 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -43.09 -55.3 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 1.0 111.151 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 41' ' ' SER . 18.9 tt -45.83 -27.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.774 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.3 p -83.94 -38.58 20.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.109 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.1 -53.12 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.959 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.44 -39.93 92.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.827 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.0 tp -75.66 -9.07 58.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.183 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m120 68.84 64.6 0.3 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.507 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.2 mt -143.12 158.28 43.75 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.828 -0.434 . . . . 1.0 109.828 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 54' ' ' SER . 92.1 p -79.52 114.48 18.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.564 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -58.85 -3.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.689 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 52' ' ' SER . 11.9 t -77.29 -42.51 36.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.517 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -77.48 -37.54 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.492 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.6 t -44.26 -69.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.7 p -45.75 -34.62 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.958 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -78.57 -31.21 47.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.993 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.28 -57.48 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.745 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.21 -39.72 66.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.809 0.338 . . . . 1.0 110.599 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -42.59 -62.14 1.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.073 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 tp -44.93 -57.17 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.731 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.6 mp -52.84 -49.28 66.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.431 -177.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -43.72 -36.45 2.23 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.93 -0.308 . . . . 1.0 111.11 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p -83.5 -17.91 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.131 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 90.7 t -76.31 -16.69 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.504 -0.316 . . . . 1.0 111.067 -178.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.468 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 4.1 m80 75.73 18.61 2.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.76 0.314 . . . . 1.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' ' 68' ' ' LEU . 3.4 tt -87.28 -73.34 0.48 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.445 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.9 m -78.78 152.13 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.226 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -130.72 122.58 27.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.938 -0.574 . . . . 1.0 109.889 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.76 171.19 10.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.023 0.439 . . . . 1.0 111.221 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -139.99 138.56 35.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.918 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.96 116.1 12.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.947 0.403 . . . . 1.0 110.488 -178.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -160.16 73.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.38 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.87 -66.72 0.35 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.459 -1.056 . . . . 1.0 110.459 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -169.56 -66.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 1.0 110.543 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 78' ' ' MET . 47.6 t -63.03 -167.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.485 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.443 ' N ' ' OG ' ' A' ' 77' ' ' SER . 27.4 mtp -141.6 98.09 3.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.318 -0.401 . . . . 1.0 109.945 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.734 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.9 mp -84.66 101.01 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.552 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -66.18 156.0 35.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.343 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -163.81 135.78 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.005 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.602 ' N ' HD12 ' A' ' 82' ' ' LEU . 8.1 mp -86.72 82.11 7.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.968 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.32 -17.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.713 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 82' ' ' LEU . 33.5 m-20 -88.71 149.38 23.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.563 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.6 pt -109.97 -27.51 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.579 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -53.69 -51.99 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.876 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 t -44.71 -45.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.871 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.6 -41.18 69.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.69 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 m -73.28 -48.84 31.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.727 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 mmt -36.75 -49.6 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 1.0 112.064 -177.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 91' ' ' LEU . 7.4 mp -75.64 -36.17 60.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 1.0 110.421 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -63.0 -62.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.852 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.436 ' OE1' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -52.25 -32.88 39.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.895 -178.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.436 ' N ' ' OE1' ' A' ' 93' ' ' GLN . . . -64.76 -57.26 9.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.647 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 95' ' ' ILE . 74.1 mt -75.34 -6.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.655 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -69.02 -57.94 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.506 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.6 m170 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.675 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.696 0.284 . . . . 1.0 110.545 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.9 p -63.15 -41.4 99.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.711 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.63 -44.52 96.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.617 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.58 -15.67 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.987 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -77.8 -55.95 4.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.356 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.22 -17.94 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 1.0 110.694 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.7 p -73.83 -33.82 64.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.237 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -66.39 -28.36 68.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.481 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mt -65.96 -58.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.807 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 43.9 m-85 -61.28 -44.44 97.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.012 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.506 ' NZ ' ' CB ' ' B' ' 21' ' ' LYS . 5.3 ttpm? -60.12 -14.57 17.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.008 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.19 -40.95 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.664 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -55.97 156.49 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.726 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.87 -110.11 0.33 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -72.68 137.99 46.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 1.0 110.712 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' ND2' ' B' ' 27' ' ' ASN . 18.5 p90 -59.93 -35.84 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.756 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.501 ' ND2' ' CE1' ' B' ' 26' ' ' TYR . 59.3 m-80 -46.6 -22.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 1.0 110.461 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.541 HH21 ' CG2' ' B' ' 31' ' ' ILE . 5.3 tpm_? -63.97 -36.52 84.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.448 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.33 -52.66 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.768 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -49.6 -36.54 24.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.006 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.541 ' CG2' HH21 ' B' ' 28' ' ' ARG . 95.1 mt -72.16 -72.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.147 -178.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 15.1 ptm -45.14 -29.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.87 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.22 -66.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 1.0 110.488 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.55 -30.45 60.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.737 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.521 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -68.31 -37.41 80.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.217 0.532 . . . . 1.0 109.598 179.271 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.8 m -46.93 -21.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.257 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.409 ' N ' ' C ' ' B' ' 35' ' ' LEU . 9.9 t -151.19 64.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.939 177.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -174.51 -166.03 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.844 0.354 . . . . 1.0 110.731 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -179.4 129.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.014 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.38 -177.79 5.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 1.0 111.072 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 43.4 m -76.45 -179.6 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.376 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 m -83.48 -34.97 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.829 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.32 -62.23 1.5 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.101 -0.8 . . . . 1.0 111.101 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -44.65 -48.66 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 1.0 110.881 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 11.0 tt -53.14 -24.43 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.815 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.5 m -80.73 -54.04 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.894 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -44.58 -51.19 9.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.969 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -60.86 -46.0 92.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.028 -178.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 mt -78.72 -3.0 42.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.358 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.4 25.56 4.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.846 0.313 . . . . 1.0 111.846 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.02 141.23 29.06 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.491 ' C ' ' H ' ' B' ' 54' ' ' SER . 10.2 t -80.28 126.36 31.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.506 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.61 -2.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.306 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.491 ' H ' ' C ' ' B' ' 52' ' ' SER . 59.4 m -80.08 -46.63 16.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.899 0.381 . . . . 1.0 110.52 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -80.45 -33.47 36.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.825 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 59' ' ' GLN . 92.4 t -45.8 -73.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.699 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -41.15 -43.84 2.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.296 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -66.82 -29.89 69.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.572 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' B' ' 56' ' ' VAL . 6.8 tp-100 -63.73 -61.91 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.093 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.59 -44.51 65.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 1.0 110.955 -178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -43.92 -63.33 0.88 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.912 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -45.15 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.837 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.644 HD12 ' H ' ' B' ' 63' ' ' LEU . 7.5 mp -47.33 -53.74 12.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.862 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -40.15 -42.99 1.56 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.749 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -78.41 -18.82 54.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.475 -0.33 . . . . 1.0 111.357 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' B' ' 67' ' ' HIS . 60.6 t -79.47 -12.68 13.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.996 -0.282 . . . . 1.0 111.327 -178.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' B' ' 66' ' ' VAL . 6.6 t60 87.29 22.02 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 122.636 0.374 . . . . 1.0 111.175 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 40.1 mt -89.61 -74.07 0.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.745 0.307 . . . . 1.0 110.735 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 20.2 t -83.18 146.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.905 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -117.29 129.14 55.71 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.918 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.72 160.49 17.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.698 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -147.34 140.04 24.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.115 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -132.24 117.51 18.32 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.585 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -155.75 76.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.912 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.66 -74.13 0.28 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.788 -1.325 . . . . 1.0 109.788 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -171.99 -50.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 1.0 110.216 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -62.42 -167.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.201 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 25.9 ttt -131.19 86.05 2.33 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.779 -0.452 . . . . 1.0 109.779 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.539 HG23 ' O ' ' B' ' 79' ' ' ILE . 15.4 tt -85.52 102.31 11.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.824 -177.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -93.09 165.07 13.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.072 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.6 p -154.6 152.97 30.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 84' ' ' ASP . 14.5 mt -68.89 -18.48 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.835 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 57.51 -79.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.569 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' B' ' 82' ' ' LEU . 0.7 OUTLIER -67.95 100.28 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 1.0 110.607 179.669 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.66 -15.13 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.543 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -56.0 -23.15 31.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.582 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.4 t -76.51 -25.05 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.575 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.81 -24.85 41.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.365 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 67.4 p -78.49 -53.93 6.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.877 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' B' ' 90' ' ' MET . 0.0 OUTLIER -54.74 -26.47 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.566 -179.399 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 tp -75.12 -49.41 19.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.238 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -62.28 -42.62 99.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.489 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -55.57 -30.72 61.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.277 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.11 -45.29 61.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.437 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.453 ' O ' HG22 ' B' ' 95' ' ' ILE . 86.3 mt -76.61 -11.08 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.312 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -73.4 -38.17 65.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.621 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 21.2 m170 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.511 179.82 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.906 0.384 . . . . 1.0 110.666 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.3 p -73.53 -59.45 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.8 mt -81.04 -12.61 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.529 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.91 -21.42 43.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.551 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -69.71 -62.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.761 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.0 m -61.75 -16.16 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.557 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.8 m -74.9 -39.94 61.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.485 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -62.34 -33.1 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.276 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 19.1 mt -61.55 -62.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.635 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -57.66 -44.33 85.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.682 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -59.36 -20.09 51.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.859 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -71.13 -42.79 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.663 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -51.9 156.3 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.518 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.3 -76.89 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.855 -0.898 . . . . 1.0 110.855 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -73.21 179.51 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 1.0 110.545 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.492 ' CG ' ' N ' ' A' ' 27' ' ' ASN . 27.6 p90 -99.77 -48.6 4.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.056 0.455 . . . . 1.0 109.995 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.659 ' ND2' HE21 ' A' ' 59' ' ' GLN . 13.6 p-10 -65.18 2.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HE ' HD11 ' A' ' 63' ' ' LEU . 56.2 ttt-85 -63.85 -29.04 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.576 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 31' ' ' ILE . 42.0 mt -77.17 -54.37 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.705 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -42.0 -19.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.218 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 29' ' ' ILE . 6.6 mm -76.27 -41.38 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' ILE . 46.2 mtt -70.24 -35.94 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.871 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.84 -33.52 76.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.934 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.1 tp -78.93 -39.67 34.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.761 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -62.31 -30.64 71.3 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.5 t -38.68 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.419 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' LEU . 4.0 p -176.27 82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.069 177.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -153.33 -77.72 0.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.267 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 61.69 108.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.949 -0.389 . . . . 1.0 109.949 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.01 -176.83 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.917 0.389 . . . . 1.0 110.926 -177.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -65.11 167.1 8.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.364 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 43' ' ' GLY . 13.6 m -83.41 -35.96 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 1.0 111.042 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.99 -48.78 5.61 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.476 -0.65 . . . . 1.0 111.476 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -42.21 -52.89 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 1.0 111.13 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.5 pt -51.71 -26.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.775 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' GLY . 6.2 t -69.78 -73.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.977 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -57.89 -49.78 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.109 -178.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -50.05 -56.87 9.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.144 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 50' ' ' ASN . 31.1 mt -78.42 20.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.178 -178.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER 54.16 15.93 1.05 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.687 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.0 mt -88.59 149.92 23.32 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.994 -0.372 . . . . 1.0 109.994 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 54' ' ' SER . 17.9 p -83.13 136.12 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.302 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -63.9 9.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.77 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 52' ' ' SER . 37.8 p -74.83 -33.71 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.7 0.286 . . . . 1.0 111.023 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 57' ' ' SER . 15.5 p-10 -83.68 -47.04 11.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.202 -178.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 56' ' ' VAL . 5.7 m -54.1 -2.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.806 -178.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 55' ' ' ASN . 7.6 t -95.32 -60.52 1.65 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.945 0.403 . . . . 1.0 110.203 177.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.464 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 41.0 t-80 -79.07 -16.07 57.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.0 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.659 HE21 ' ND2' ' A' ' 27' ' ' ASN . 20.8 mm-40 -60.76 -70.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.144 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.68 -44.75 69.97 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.778 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -40.92 -65.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.356 . . . . 1.0 111.175 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 65' ' ' SER . 11.3 tp -51.47 -68.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.944 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.523 HD11 ' HE ' ' A' ' 28' ' ' ARG . 8.5 mp -41.1 -50.89 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.014 -177.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -57.84 -26.62 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.493 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 62' ' ' LEU . 7.5 t -80.59 -44.79 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.215 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.29 -2.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.618 -0.264 . . . . 1.0 110.923 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 68.93 14.52 8.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.328 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.3 mt -82.27 0.56 40.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.671 -0.24 . . . . 1.0 110.603 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -152.12 135.07 6.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.966 0.412 . . . . 1.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -98.77 119.84 38.2 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.216 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.73 172.95 8.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.68 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -149.9 132.56 15.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.318 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' A' ' 73' ' ' ARG . 8.7 mpt_? -91.46 114.08 26.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.506 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 77' ' ' SER . 32.1 tt0 -131.06 112.38 12.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.446 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.49 -148.97 48.87 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -68.63 -50.07 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 1.0 110.378 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 78' ' ' MET . 35.1 t -82.57 -167.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.904 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.477 ' N ' ' OG ' ' A' ' 77' ' ' SER . 17.4 ptt? -154.71 163.43 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.013 -0.366 . . . . 1.0 110.013 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.6 mt -133.1 123.4 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.894 0.378 . . . . 1.0 110.273 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.671 ' CE2' HD23 ' A' ' 35' ' ' LEU . 40.2 p90 -86.49 155.63 20.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.287 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.7 m -158.9 152.21 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.002 0.43 . . . . 1.0 111.051 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.7 mt -81.56 -39.9 23.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.687 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t70 70.44 -55.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.68 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -54.69 95.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.496 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 tp -62.83 -19.03 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.56 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -68.11 -61.71 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.65 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.4 t -46.65 -41.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.738 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.86 87.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.783 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -72.92 -49.84 27.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.658 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.0 mmt -44.77 -33.96 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.869 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -68.02 -62.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.077 -179.794 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -45.18 -53.65 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.784 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -46.34 -35.5 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.647 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.49 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.562 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.6 mm -75.35 -7.0 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.58 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -88.67 -24.73 22.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.83 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.1 t60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.898 -178.889 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 42.8 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 1.0 110.742 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -57.31 -43.14 83.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.775 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tp -76.55 -33.71 58.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.602 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' B' ' 17' ' ' THR . 39.7 tp10 -47.24 -44.31 22.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.06 -179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -68.15 -29.32 68.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.844 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.6 t -74.42 -25.35 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.893 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 68.1 p -74.13 -28.07 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.196 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.58 -39.18 88.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.476 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mm -53.7 -52.96 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -75.19 -44.35 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.914 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.71 -10.34 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.717 0.294 . . . . 1.0 110.776 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.29 -44.54 16.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.956 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.0 mt -48.6 153.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.768 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.65 -88.63 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.824 -0.91 . . . . 1.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.405 ' HB2' HD21 ' B' ' 27' ' ' ASN . 0.8 OUTLIER -81.16 109.23 15.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 1.0 110.688 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.484 ' C ' ' H ' ' B' ' 28' ' ' ARG . 17.2 p90 -47.49 -31.28 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.101 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.685 HD22 ' N ' ' B' ' 28' ' ' ARG . 0.0 OUTLIER -56.12 -5.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.771 -179.174 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.685 ' N ' HD22 ' B' ' 27' ' ' ASN . 8.9 ptm180 -65.53 -24.73 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.012 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.95 -55.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.742 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -43.15 -32.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.094 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' B' ' 34' ' ' LEU . 48.0 mt -66.14 -70.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.551 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 39.5 mtt -42.28 -30.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.282 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.05 -34.37 76.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.839 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' B' ' 38' ' ' SER . 10.2 tp -77.46 -39.58 46.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.821 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.525 HD22 ' N ' ' B' ' 35' ' ' LEU . 3.2 mm? -67.22 -38.07 84.65 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.903 -0.319 . . . . 1.0 110.443 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -42.1 -25.98 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.27 . . . . 1.0 111.264 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.446 HG13 ' O ' ' B' ' 37' ' ' VAL . 7.1 p -162.9 68.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.562 0.696 . . . . 1.0 110.729 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' B' ' 34' ' ' LEU . 11.9 p -174.02 -171.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.431 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -177.93 127.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.266 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -177.91 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.815 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -69.57 170.94 9.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.407 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 t -80.03 -25.61 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.855 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.7 -47.07 2.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.431 -0.667 . . . . 1.0 111.431 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -41.43 -51.13 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.0 111.509 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.409 HD13 HG21 ' B' ' 45' ' ' ILE . 18.3 pt -55.4 -23.95 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.156 -178.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 40.0 p -70.91 -69.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 1.0 111.144 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.526 ' N ' ' OG ' ' B' ' 46' ' ' SER . 42.0 t-80 -52.24 -49.94 63.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.012 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' B' ' 50' ' ' ASN . 43.0 tt0 -53.58 -66.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.127 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.471 ' C ' HD22 ' B' ' 50' ' ' ASN . 36.3 mt -65.13 7.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.208 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' B' ' 48' ' ' GLN . 1.8 m-80 59.0 59.54 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.769 0.318 . . . . 1.0 110.891 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.5 mt -133.63 152.31 51.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.831 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.454 ' C ' ' H ' ' B' ' 54' ' ' SER . 22.8 p -78.61 111.6 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.427 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -60.79 -0.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.707 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.454 ' H ' ' C ' ' B' ' 52' ' ' SER . 10.1 t -74.93 -41.1 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.455 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' B' ' 59' ' ' GLN . 7.3 m-20 -84.72 -38.06 20.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.669 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' B' ' 59' ' ' GLN . 87.6 t -44.01 -77.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.938 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.2 m -43.48 -44.24 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.067 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -26.55 65.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.504 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' B' ' 55' ' ' ASN . 54.2 tp60 -71.58 -42.5 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.772 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.21 -40.79 86.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.634 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -47.98 -56.91 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.327 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.71 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.326 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.5 mt -36.58 -51.78 0.85 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.798 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -49.76 -48.39 50.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.845 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.3 t -62.18 -40.52 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.022 -178.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.543 ' O ' ' CG ' ' B' ' 67' ' ' HIS . 3.1 t -75.68 13.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.578 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' B' ' 66' ' ' VAL . 3.2 p80 52.97 18.75 1.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.151 0.426 . . . . 1.0 112.151 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.9 mt -79.81 -14.17 58.88 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 97.5 t -152.48 148.82 14.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.111 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -128.39 128.59 44.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.823 0.344 . . . . 1.0 110.412 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.77 172.24 9.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.444 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -146.3 144.51 29.87 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.005 0.431 . . . . 1.0 110.545 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.3 ptt85 -139.62 103.86 4.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.696 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -145.89 88.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.58 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 96.24 103.47 2.06 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 -175.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.477 ' CD ' ' N ' ' B' ' 76' ' ' GLN . 1.7 pm0 -20.71 84.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.64 0.776 . . . . 1.0 113.066 -176.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.46 ' N ' ' O ' ' B' ' 75' ' ' GLY . 19.2 m -175.99 91.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.863 -0.792 . . . . 1.0 108.863 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -71.54 115.92 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.439 -174.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 12.4 pt -147.22 129.8 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.138 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -106.56 168.24 9.3 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.026 0.441 . . . . 1.0 111.467 -176.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 16.0 t -169.99 160.78 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.672 -0.694 . . . . 1.0 110.782 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 56.0 tp -91.15 91.36 8.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 1.0 109.978 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -69.87 -8.72 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.179 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 2.5 m-20 -75.64 100.4 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.787 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.18 -41.88 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.593 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -56.43 -69.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.831 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 32.9 t -45.27 -51.87 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.975 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.32 -57.03 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.167 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 29.9 p -70.91 -46.9 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.812 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 24.1 ttt -46.25 -31.67 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.736 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.6 tp -72.64 -51.21 20.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.212 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -59.74 -39.38 84.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.308 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -55.62 -29.64 59.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.389 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.48 -48.22 42.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.513 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.442 ' O ' HG22 ' B' ' 95' ' ' ILE . 70.0 mt -78.71 -8.81 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.332 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.13 -38.53 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.491 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 28.3 m170 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.463 179.898 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.871 0.367 . . . . 1.0 110.577 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.1 m -82.19 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.761 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.43 -30.58 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.519 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -49.14 -58.46 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.884 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -64.76 -24.52 67.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.183 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -73.06 -25.3 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.984 0.421 . . . . 1.0 110.213 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.8 m -77.54 -22.86 50.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.034 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.41 -40.15 89.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.177 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.61 -59.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.35 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -57.29 -42.04 80.94 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.45 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -53.58 -24.19 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.444 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.83 55.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.481 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.1 mt -46.14 133.27 9.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.491 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.25 -10.17 0.05 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.239 -0.744 . . . . 1.0 111.239 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -168.45 109.52 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 1.0 110.612 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -50.46 -26.34 4.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.754 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.17 -11.11 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.611 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 29' ' ' ILE . 40.0 ptt85 -62.87 -42.06 99.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.65 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 28' ' ' ARG . 46.8 mm -54.37 -50.79 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.148 178.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -54.19 -49.87 68.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.586 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' LEU . 77.6 mt -64.37 -63.44 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.743 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.5 mtp -44.72 -31.41 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.966 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -68.84 -31.46 70.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.939 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' ILE . 34.9 tp -83.27 -43.65 15.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.721 -178.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.49 -19.46 64.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 1.0 110.699 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.48 ' O ' HG13 ' A' ' 37' ' ' VAL . 43.7 t -70.6 -17.22 62.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.546 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 36' ' ' SER . 16.8 m -158.69 51.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.4 t 163.44 89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 1.0 110.089 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -74.73 151.49 39.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.674 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.18 -177.84 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.695 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 t -79.96 -173.17 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.387 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 43' ' ' GLY . 17.5 m -82.75 -42.08 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.76 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.53 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -81.8 -45.71 7.09 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.101 -0.799 . . . . 1.0 111.101 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -45.53 -30.58 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.659 0.266 . . . . 1.0 110.817 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.2 mt -79.11 -25.29 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.934 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLY . 11.0 t -70.84 -42.25 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.993 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -77.22 -49.12 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 1.0 111.212 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.495 ' C ' ' H ' ' A' ' 50' ' ' ASN . 6.7 mm100 -66.07 -56.5 11.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.1 -178.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -70.53 11.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.223 -178.03 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 50' ' ' ASN . 6.2 p-10 45.02 72.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.194 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.84 149.84 37.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.232 -0.655 . . . . 1.0 109.232 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 54' ' ' SER . 14.6 t -77.78 122.61 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -55.69 -2.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.507 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.503 ' H ' ' C ' ' A' ' 52' ' ' SER . 26.7 t -74.95 -52.53 10.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 1.0 110.923 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.28 -28.08 42.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.058 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.01 -80.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.917 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 t -44.18 -48.91 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.06 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -56.33 -24.08 41.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.856 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -66.94 -52.16 46.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.91 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -50.73 -46.51 59.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.843 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -42.31 -72.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.021 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 48.6 tp -55.89 -73.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.462 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.53 HD11 ' CD2' ' A' ' 68' ' ' LEU . 20.0 tp -37.86 -50.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.892 -176.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -65.76 -48.81 70.59 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.867 -0.333 . . . . 1.0 111.137 -178.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.5 m -53.16 -19.29 2.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.213 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 66' ' ' VAL . 83.9 t -81.23 -8.1 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.046 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 18.6 t-80 82.59 16.83 0.35 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.646 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.53 ' CD2' HD11 ' A' ' 63' ' ' LEU . 20.9 tp -75.42 -88.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.409 . . . . 1.0 109.932 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.98 157.2 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 1.0 110.848 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -115.93 121.17 41.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.111 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.94 162.35 16.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.826 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -148.16 141.86 25.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.912 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 ptt85 -139.65 123.1 17.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.938 0.399 . . . . 1.0 110.611 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -160.5 97.51 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 100.28 102.39 2.48 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 44.07 -88.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.675 0.274 . . . . 1.0 111.236 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 75' ' ' GLY . 48.4 t -71.75 -167.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.659 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -153.04 144.5 23.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.771 179.662 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.6 mt -120.21 113.87 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 120.805 0.335 . . . . 1.0 110.363 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -98.07 144.06 27.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.5 p -158.06 179.63 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.203 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -171.15 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.163 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -158.5 -36.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.559 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.49 104.27 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 1.0 110.526 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.1 tp -75.24 -24.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.494 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -56.86 -62.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.809 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -55.95 -36.12 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.812 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.51 -47.25 76.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.777 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 49.2 p -75.62 -41.72 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.554 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.6 ttm -51.38 -33.21 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.544 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 91' ' ' LEU . 3.0 tt -68.7 -59.7 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.065 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -48.9 -45.0 40.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.554 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -55.77 -25.39 40.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.585 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -76.73 -46.59 24.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.392 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.5 mm -65.32 -5.35 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.41 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -92.19 -55.67 3.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.604 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.906 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.776 0.322 . . . . 1.0 110.658 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' B' ' 13' ' ' LEU . 29.8 p -70.0 -61.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.735 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.447 ' O ' HD23 ' B' ' 13' ' ' LEU . 3.2 tt -46.58 -53.43 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.259 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' THR . 65.1 mt-10 -45.11 -54.08 7.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.966 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -46.25 -41.55 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.743 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 t -65.36 -23.45 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.603 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.442 ' N ' ' O ' ' B' ' 14' ' ' GLU . 7.1 m -72.15 -23.27 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.416 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.21 -33.3 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.473 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.61 -42.26 80.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.459 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -75.97 -39.26 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.594 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -58.25 -23.59 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -53.66 55.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.655 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 mt -39.2 123.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.404 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.404 ' H ' ' HG3' ' B' ' 28' ' ' ARG . . . -85.18 -122.95 1.18 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -81.62 -135.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 1.0 110.601 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.423 ' C ' ' H ' ' B' ' 28' ' ' ARG . 52.8 m-85 -100.05 -50.74 3.89 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 1.0 110.141 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -65.38 3.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.768 -0.651 . . . . 1.0 111.043 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.544 ' HE ' ' N ' ' B' ' 29' ' ' ILE . 1.9 tmm_? -60.97 -59.03 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 1.0 110.037 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.581 HG23 ' N ' ' B' ' 30' ' ' ARG . 8.6 tp -53.84 -48.59 61.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.325 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.581 ' N ' HG23 ' B' ' 29' ' ' ILE . 90.1 mtt180 -41.11 -45.33 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.181 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.417 HD12 HE22 ' B' ' 59' ' ' GLN . 64.9 mt -75.09 -54.0 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.406 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 2.5 tpt -44.31 -29.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.892 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.68 -66.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.618 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.53 -33.33 63.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.083 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' B' ' 37' ' ' VAL . 37.6 tp -64.2 -25.58 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 60.7 p -47.23 -18.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.331 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' B' ' 35' ' ' LEU . 3.5 p -177.11 82.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.324 0.583 . . . . 1.0 110.16 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 90.0 p -169.61 49.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.056 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -47.97 126.85 11.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.329 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -178.49 6.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.652 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.1 t -69.37 163.08 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.504 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.435 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.2 p -74.9 -38.89 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.376 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.435 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -83.85 -60.94 1.9 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.665 -0.574 . . . . 1.0 111.665 -177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -40.7 -55.66 2.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 1.0 111.349 -177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 tt -46.43 -29.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.596 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 14.5 p -75.62 -61.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.191 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.491 ' N ' ' OG ' ' B' ' 46' ' ' SER . 27.2 m80 -50.7 -53.66 29.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.063 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -52.18 -57.39 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.043 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 mt -73.99 8.68 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.021 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 m120 58.41 70.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 1.0 111.168 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 63.9 mt -136.94 145.62 44.46 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.809 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.473 ' C ' ' H ' ' B' ' 54' ' ' SER . 32.3 t -81.62 123.71 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.563 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -62.64 3.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.147 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.473 ' H ' ' C ' ' B' ' 52' ' ' SER . 18.4 m -80.53 -49.6 11.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 1.0 110.455 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' B' ' 59' ' ' GLN . 43.1 t30 -84.92 -44.62 13.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.916 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 59' ' ' GLN . 93.3 t -41.53 -80.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.31 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -41.75 -45.36 3.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.237 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -68.74 -23.33 64.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.592 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' B' ' 56' ' ' VAL . 32.8 tt0 -71.87 -44.58 63.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.82 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.18 -42.98 96.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 1.0 110.51 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -47.0 -49.07 21.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.352 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.47 ' C ' HD23 ' B' ' 62' ' ' LEU . 2.0 tt -54.8 -72.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 1.0 109.899 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 mt -40.15 -51.47 2.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.242 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -60.07 -27.03 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.189 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.438 ' N ' ' O ' ' B' ' 62' ' ' LEU . 15.9 m -76.34 -24.46 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.977 -0.289 . . . . 1.0 111.031 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' B' ' 67' ' ' HIS . 2.4 t -77.87 9.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.696 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' B' ' 66' ' ' VAL . 9.1 p-80 58.29 15.13 3.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.651 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 70.1 mt -86.27 -68.87 0.71 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.867 0.365 . . . . 1.0 110.084 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 t -86.1 145.51 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.876 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -122.91 -175.1 3.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.052 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.15 129.82 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.786 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -89.6 136.28 33.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.571 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -79.15 114.09 17.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.572 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -132.78 102.12 5.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.33 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.12 -148.1 48.52 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.873 . . . . 1.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -60.83 -61.05 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 1.0 110.544 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.445 ' C ' ' SD ' ' B' ' 78' ' ' MET . 20.6 t -78.2 -174.96 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.787 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.567 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.7 mpt? -143.07 132.7 23.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.133 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 15.4 mm -88.15 118.01 32.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.944 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -76.41 153.1 35.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.199 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.2 t -169.81 158.39 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 1.0 110.769 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -76.23 -153.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.652 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -158.5 -49.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.11 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -81.6 96.45 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.125 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.611 HD12 ' C ' ' B' ' 85' ' ' ILE . 2.3 pp -69.51 -2.5 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.685 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.588 ' N ' HD12 ' B' ' 85' ' ' ILE . 33.2 m-70 -79.07 -33.64 44.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.307 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 63.6 t -71.82 -40.75 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.589 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.57 -46.6 80.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.392 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 39.9 p -70.21 -43.67 70.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.52 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 27.1 ttt -52.5 -28.29 19.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.552 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.468 ' O ' HD23 ' B' ' 91' ' ' LEU . 2.2 tt -73.93 -59.3 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 1.0 109.958 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -53.65 -33.61 55.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.245 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -61.83 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.278 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.69 -48.67 30.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.514 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.47 ' O ' HG22 ' B' ' 95' ' ' ILE . 87.0 mt -76.14 -8.52 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.555 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -82.29 -36.37 27.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.597 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.637 -179.68 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 1.0 110.841 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -87.48 -59.56 2.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.452 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.6 mt -79.08 -30.6 44.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.438 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -50.57 -43.89 56.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.778 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -67.46 -36.86 82.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 1.0 110.569 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.2 t -68.49 -23.99 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.015 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.3 p -82.13 -17.43 46.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.509 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -79.38 -32.93 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.62 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.87 -60.38 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.752 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' CD1' ' B' ' 23' ' ' LEU . 64.2 m-85 -58.03 -42.27 84.99 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.842 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -58.81 -32.94 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.698 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.93 97.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.898 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp -37.38 118.53 0.64 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.457 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.03 -139.0 7.99 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.057 -0.817 . . . . 1.0 111.057 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -78.67 147.64 33.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 1.0 110.714 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.475 ' C ' ' H ' ' A' ' 28' ' ' ARG . 9.1 m-85 -45.3 -38.21 5.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.883 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -49.61 -11.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.475 ' H ' ' C ' ' A' ' 26' ' ' TYR . 62.2 ttt180 -64.77 -52.34 57.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.787 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.5 mt -50.63 -56.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.774 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.9 mtp-105 -45.16 -66.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.891 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.63 -54.54 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.668 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 32' ' ' MET . 1.6 tmt? -49.18 -34.26 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.85 -179.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.72 -67.77 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.056 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.08 -32.54 73.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.731 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.96 -17.38 61.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.43 . . . . 1.0 110.273 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.9 p -80.38 -14.02 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.591 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.9 t -157.36 89.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 1.0 109.756 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 39' ' ' GLU . 4.2 t 179.84 -53.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.28 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' SER . 14.1 mm-40 56.16 107.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 1.0 110.123 -177.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.11 -177.01 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.834 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -69.71 169.46 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.516 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.4 m -80.94 -34.83 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.91 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.36 -58.88 2.11 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.235 -0.746 . . . . 1.0 111.235 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -44.07 -53.99 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 1.0 110.968 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 tt -47.74 -29.08 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.685 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -76.25 -62.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.152 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -56.82 -49.9 74.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.122 -178.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -47.54 -50.35 23.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.877 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.2 17.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.051 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 55.01 76.83 0.24 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 1.0 110.561 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.1 tp -155.46 156.52 35.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.282 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -78.58 113.18 16.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.606 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.495 ' C ' ' H ' ' A' ' 55' ' ' ASN . 22.7 tt0 -48.67 -51.1 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.983 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 p -50.28 -9.16 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.036 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.495 ' H ' ' C ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -81.31 -59.73 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.447 -178.081 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 57' ' ' SER . 3.1 m -51.4 -48.63 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.978 -176.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 56' ' ' VAL . 58.5 m -42.86 -42.13 3.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.359 . . . . 1.0 111.07 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -78.91 -31.25 45.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.643 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -69.36 -54.32 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.175 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -56.64 -46.48 80.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.075 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.444 ' CB ' ' HZ2' ' A' ' 61' ' ' LYS . 7.7 ttpm? -42.02 -61.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.355 -177.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.4 tp -51.7 -70.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.688 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.9 mp -42.49 -53.71 4.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.811 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -44.3 -44.05 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.836 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 14.3 t -69.75 -18.9 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.401 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.474 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 25.5 t -80.29 -7.04 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.952 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 65' ' ' SER . 1.3 m170 78.6 18.74 0.96 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.39 178.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.9 mt -81.36 -81.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 1.0 110.269 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.1 m -77.14 154.62 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.601 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -127.72 128.01 44.65 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.214 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.9 127.01 35.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.958 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -96.08 137.8 34.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.293 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -80.63 105.32 11.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.669 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' SER . 61.0 mt-30 -139.98 125.25 18.85 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.963 0.411 . . . . 1.0 110.985 -178.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 33.52 98.57 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 CA-C-N 115.47 -0.787 . . . . 1.0 112.384 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 52.8 -83.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.673 0.273 . . . . 1.0 111.12 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 75' ' ' GLY . 35.9 p -63.75 -177.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.69 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 77' ' ' SER . 9.9 mmt -128.46 114.19 16.48 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 109.933 -0.395 . . . . 1.0 109.933 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.0 mt -79.06 115.13 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.332 . . . . 1.0 110.706 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -72.96 147.54 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.651 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -160.69 147.03 15.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.716 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -84.99 129.06 34.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.5 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -81.7 -55.3 4.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.585 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -81.49 97.85 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.537 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 pt -78.56 15.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.66 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.99 -59.77 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.76 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 m -53.41 -27.25 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.53 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.11 99.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.74 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 58.9 p -76.66 -23.51 53.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.915 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 61.8 mmm -75.6 -29.09 59.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.668 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 23.5 tp -73.56 -47.51 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.408 ' HB3' ' HZ2' ' A' ' 92' ' ' LYS . 16.1 mtpp -52.6 -59.49 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.906 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -47.78 -27.72 2.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.741 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -69.77 -36.04 75.43 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.527 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.0 mm -76.71 -7.46 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.776 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -83.87 -61.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 1.0 110.631 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.755 -179.641 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.82 0.343 . . . . 1.0 110.587 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.1 p -69.94 -60.38 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.023 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.8 mt -77.88 -22.32 49.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.12 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -58.54 -37.69 76.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 1.0 111.074 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ttm105 -58.03 -58.22 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 1.0 110.937 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 m -64.76 -15.72 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.866 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -80.87 -27.12 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.059 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -72.24 -35.62 68.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.084 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 pt -68.49 -40.66 82.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.448 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -61.71 -42.2 98.62 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.229 -0.588 . . . . 1.0 110.47 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -61.74 -22.33 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.826 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.58 92.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.676 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 16.5 mt -50.86 146.26 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.543 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.2 -104.77 0.33 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.59 -1.004 . . . . 1.0 110.59 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -77.73 130.2 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 1.0 110.473 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' B' ' 28' ' ' ARG . 40.0 p90 -57.33 -33.83 68.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.777 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -46.45 -15.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.73 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' B' ' 26' ' ' TYR . 16.5 mtp180 -63.02 -37.04 85.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.609 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.4 -51.71 64.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.813 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -47.48 -53.43 14.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.131 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 pt -68.9 -41.65 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.175 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.0 mtt -57.55 -36.28 71.42 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.951 -0.3 . . . . 1.0 110.605 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -70.56 -26.72 63.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.885 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -80.16 -42.5 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.224 -178.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.07 -17.5 61.41 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.687 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 29.7 t -73.08 -18.68 61.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 1.0 110.347 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 t -148.3 56.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.184 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.7 p -174.19 178.81 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.386 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -157.44 121.56 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.071 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.97 -177.71 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -76.92 -173.27 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.547 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.52 HG13 ' N ' ' B' ' 43' ' ' GLY . 13.5 p -92.78 -41.87 12.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.225 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.52 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -86.78 -21.36 50.89 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.511 -0.636 . . . . 1.0 111.511 -177.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -73.95 -40.38 63.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.724 0.297 . . . . 1.0 110.834 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 pt -69.25 -21.05 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.892 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 27.7 p -78.17 -42.83 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.052 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.46 -52.09 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.95 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -54.83 -49.93 69.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.004 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 34.6 mt -75.84 8.31 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 1.0 111.167 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 62.05 67.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.745 0.307 . . . . 1.0 110.962 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' B' ' 46' ' ' SER . 56.3 mt -136.48 144.94 44.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.876 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.455 ' C ' ' H ' ' B' ' 54' ' ' SER . 30.9 t -78.48 117.96 20.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.617 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -57.65 -3.79 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.058 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.455 ' H ' ' C ' ' B' ' 52' ' ' SER . 13.5 m -86.04 -24.02 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.565 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -92.05 -40.02 11.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.142 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.649 HG13 ' N ' ' B' ' 57' ' ' SER . 13.6 p -45.92 -55.95 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.832 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.649 ' N ' HG13 ' B' ' 56' ' ' VAL . 8.8 t -42.91 -40.59 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.779 0.323 . . . . 1.0 110.982 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' B' ' 58' ' ' HIS . 1.4 m-70 -74.65 -32.53 62.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.358 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.517 ' O ' ' NE2' ' B' ' 59' ' ' GLN . 0.0 OUTLIER -59.65 -71.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.252 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 63' ' ' LEU . 12.4 mt -43.08 -58.59 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.228 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -37.22 -67.96 0.16 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.825 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp -59.6 -20.16 53.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.696 -178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.479 HD13 ' O ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -82.63 -46.47 13.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.659 -177.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' B' ' 66' ' ' VAL . 61.2 tttm -86.1 -26.43 25.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.081 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -66.05 6.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.763 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.488 ' H ' ' C ' ' B' ' 64' ' ' LYS . 46.6 t -114.53 -1.87 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.477 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.459 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 6.1 m-70 78.13 19.62 1.03 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.992 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 60.3 mt -80.92 -85.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.825 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 m -76.17 161.1 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.17 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -132.2 -163.47 1.34 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.694 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.2 -171.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 1.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -147.5 143.12 27.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.905 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -80.56 116.85 20.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.061 0.458 . . . . 1.0 110.666 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -128.73 91.43 3.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.676 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.24 -141.06 33.45 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -74.35 -37.96 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 1.0 110.661 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 55.2 p -80.21 -172.86 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.671 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 40.3 mtp -147.39 113.24 5.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.102 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.6 mt -85.04 110.04 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.727 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -78.81 154.4 29.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.615 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 5.7 m -166.61 150.04 7.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.581 HD12 ' N ' ' B' ' 82' ' ' LEU . 7.5 mp -82.39 113.98 20.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.972 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' B' ' 84' ' ' ASP . 7.2 p-10 -78.41 -64.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.713 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.454 ' H ' ' CG ' ' B' ' 83' ' ' ASP . 39.6 p-10 -68.43 99.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.754 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 pt -81.09 9.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.086 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -64.57 -54.46 31.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.801 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.37 -20.14 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.824 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.59 96.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.456 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 47.2 p -73.85 -41.69 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.389 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.8 mmt -58.27 -25.94 62.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.456 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.11 -43.39 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.424 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -65.01 -58.31 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.606 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -45.72 -36.78 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.761 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.16 -54.11 14.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.725 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.467 ' O ' HG22 ' B' ' 95' ' ' ILE . 72.4 mt -68.03 -5.44 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.681 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -77.01 -59.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.634 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.404 179.795 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.807 0.336 . . . . 1.0 110.771 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -103.97 -44.09 5.11 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.591 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.3 mt -79.1 -9.89 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.88 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' O ' ' OG1' ' A' ' 17' ' ' THR . 22.0 pt-20 -56.22 -14.97 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.541 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -81.92 -61.62 1.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.005 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.13 -17.51 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.538 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.45 ' HB ' ' HZ2' ' A' ' 21' ' ' LYS . 24.3 p -75.92 -50.09 15.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.476 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -50.94 -19.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.425 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 19' ' ' ILE . 12.3 mt -81.1 -62.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.119 -179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -57.91 -44.41 86.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.277 -177.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HZ2' ' HB ' ' A' ' 17' ' ' THR . 29.5 mtmm -57.19 -49.12 76.99 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.655 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.508 ' C ' ' H ' ' A' ' 24' ' ' GLY . . . -47.89 -39.79 19.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 1.0 110.403 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 25' ' ' ASP . 4.5 tp -63.44 9.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 1.0 111.625 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 22' ' ' ALA . . . -64.15 68.34 0.05 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' LEU . 12.2 t0 -177.63 159.3 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.77 -0.455 . . . . 1.0 109.77 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.48 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 11.6 m-85 -99.68 -52.36 3.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.007 0.432 . . . . 1.0 110.179 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -64.75 3.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.074 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 26' ' ' TYR . 1.2 tmm_? -53.98 -57.64 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.178 -0.305 . . . . 1.0 110.178 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.1 mt -65.68 -36.33 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.894 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -51.17 -60.11 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.801 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mm -49.7 -32.76 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.695 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.7 mmt -79.18 -17.57 54.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.087 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 37' ' ' VAL . 76.6 tt0 -73.68 -35.17 65.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.134 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.5 tp -91.38 -37.43 13.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.757 -178.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.446 ' C ' HD23 ' A' ' 35' ' ' LEU . 2.9 tt -67.65 -61.37 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.393 . . . . 1.0 110.475 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 t -43.79 -23.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.07 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 33' ' ' GLU . 97.1 t -79.72 -32.2 14.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.078 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 39' ' ' GLU . 21.4 p -164.33 -139.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.688 -0.405 . . . . 1.0 111.122 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.452 ' N ' ' OG ' ' A' ' 38' ' ' SER . 6.8 tp10 -149.94 148.5 29.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.175 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.39 -177.37 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.486 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.523 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 6.7 p -74.91 176.53 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.209 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 43' ' ' GLY . 16.0 m -78.44 -40.39 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.027 -178.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.488 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -82.23 -41.89 9.03 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 20.8 m170 -45.35 -30.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 1.0 110.788 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.6 mt -79.72 -25.68 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.751 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' GLY . 47.6 p -67.85 -52.31 38.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.052 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -74.73 -49.62 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.138 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' C ' ' H ' ' A' ' 50' ' ' ASN . 97.3 mt-30 -58.42 -60.6 3.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.865 0.364 . . . . 1.0 111.056 -178.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -67.68 2.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.303 -177.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 48' ' ' GLN . 14.1 m120 57.94 77.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.556 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 tp -157.97 157.83 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.224 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.6 m -79.24 113.16 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.715 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -52.46 -49.06 65.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.007 0.432 . . . . 1.0 110.684 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -39.52 -34.84 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.271 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -84.05 -43.84 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.479 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.1 t -42.47 -68.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.017 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 t -45.59 -38.57 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.847 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -71.82 -30.19 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.059 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -70.59 -49.12 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.551 -0.295 . . . . 1.0 111.079 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 mt -53.0 -53.53 48.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 1.0 110.999 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -40.12 -54.65 2.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.431 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.71 -55.51 16.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.681 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 63' ' ' LEU . 7.5 mp -63.06 -57.66 9.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.648 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -46.16 -20.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.998 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 66' ' ' VAL . 12.1 p -81.25 -53.52 6.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.047 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.408 ' N ' ' OG ' ' A' ' 65' ' ' SER . 4.3 m -78.59 22.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.422 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 69.0 t60 61.59 19.73 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.851 0.686 . . . . 1.0 112.851 174.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.7 mt -75.44 -20.04 59.1 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.338 -0.545 . . . . 1.0 110.285 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -150.48 145.55 16.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.198 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 81' ' ' SER . 55.4 tttp -121.44 107.98 13.11 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.269 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.77 134.14 34.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.771 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.77 133.08 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.31 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -114.67 89.21 3.04 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.207 -0.452 . . . . 1.0 109.884 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -104.53 123.02 46.77 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.978 0.418 . . . . 1.0 110.282 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.44 -119.93 17.37 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.314 -0.714 . . . . 1.0 111.314 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -102.34 -35.03 8.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.784 0.326 . . . . 1.0 110.743 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 p -67.35 167.29 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.554 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.0 ptm -151.39 136.59 17.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.398 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 79' ' ' ILE . 13.1 mt -142.33 126.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.303 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.424 ' O ' ' OE2' ' A' ' 39' ' ' GLU . 57.9 m-85 -77.29 133.55 38.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 1.0 110.825 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 70' ' ' LYS . 37.9 p -140.54 133.05 28.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.654 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 tp -82.22 102.28 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.089 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 85' ' ' ILE . 8.7 t70 -72.1 -51.62 20.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.58 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.86 83.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.662 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' ASP . 9.8 tp -73.89 -24.88 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.466 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' THR . 16.2 t-80 -67.76 -54.94 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.655 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.6 t -47.49 -22.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.409 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.75 -30.16 45.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' HIS . 42.9 m -75.84 -46.11 32.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.609 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.4 mtm -62.56 -24.07 67.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.674 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.4 -43.53 63.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.608 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.85 -63.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.734 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -45.63 -38.75 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.779 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.52 ' O ' ' CE1' ' A' ' 97' ' ' HIS . . . -63.7 -50.96 67.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.671 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 95' ' ' ILE . 71.1 mt -78.91 -9.28 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.719 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -77.42 -24.01 50.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.798 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.712 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.032 -0.359 . . . . 1.0 110.032 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -57.61 -41.02 80.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.186 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.47 -35.77 78.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.188 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -64.61 -27.88 69.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.961 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -68.43 -59.28 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 1.0 110.614 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.413 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 18.5 m -57.84 -10.52 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.59 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -82.06 -28.39 32.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.292 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -63.88 -41.86 97.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.9 -40.13 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.05 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 55.7 m-85 -75.46 -41.73 54.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.331 -0.548 . . . . 1.0 110.27 178.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -59.38 -28.5 66.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.336 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.18 95.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.514 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.0 mt -58.52 159.46 6.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.217 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.495 ' N ' ' NH1' ' B' ' 28' ' ' ARG . . . -179.93 -95.93 0.1 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' B' ' 27' ' ' ASN . 11.1 m-20 -52.5 102.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 1.0 110.786 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -46.29 -14.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.107 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' B' ' 25' ' ' ASP . 2.3 m-20 -70.65 -7.62 45.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 1.0 110.583 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.495 ' NH1' ' N ' ' B' ' 24' ' ' GLY . 94.2 mtt180 -76.7 -16.5 59.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.68 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mm -79.12 -69.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -41.96 -53.07 3.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.235 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.595 HG23 ' N ' ' B' ' 32' ' ' MET . 13.6 tt -56.79 -49.57 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.74 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.595 ' N ' HG23 ' B' ' 31' ' ' ILE . 26.8 ttt -47.31 -36.1 8.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.303 . . . . 1.0 110.762 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -65.87 -27.8 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.444 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.512 ' O ' HD23 ' B' ' 34' ' ' LEU . 0.8 OUTLIER -70.51 -39.41 74.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' B' ' 37' ' ' VAL . 3.5 mm? -54.95 -32.93 61.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 1.0 109.879 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 81.6 p -40.58 -21.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.905 0.383 . . . . 1.0 111.083 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' B' ' 35' ' ' LEU . 27.3 t -94.75 -56.32 5.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.048 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 3.8 t 68.56 71.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.843 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -172.99 64.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.711 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.04 159.69 26.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.727 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.4 p -71.58 167.5 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.277 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.72 -40.41 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.24 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -80.97 -48.03 6.29 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.468 -0.653 . . . . 1.0 111.468 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -43.52 -39.59 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 1.0 111.126 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.468 ' O ' ' CD2' ' B' ' 49' ' ' LEU . 83.0 mt -64.61 -28.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.082 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 43' ' ' GLY . 5.3 m -65.27 -42.1 93.57 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.006 -0.277 . . . . 1.0 111.373 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.93 -43.1 11.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.283 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -35.75 -68.65 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.448 0.536 . . . . 1.0 112.448 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.628 ' H ' ' CD2' ' B' ' 49' ' ' LEU . 0.8 OUTLIER -93.96 23.85 4.63 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.646 0.239 . . . . 1.0 111.646 -176.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.47 94.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 1.0 110.797 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.484 HD23 ' H ' ' B' ' 52' ' ' SER . 0.7 OUTLIER -159.14 142.05 14.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.484 ' H ' HD23 ' B' ' 51' ' ' LEU . 10.1 t -75.39 114.48 13.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 1.0 110.603 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -5.45 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.387 . . . . 1.0 111.131 -178.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 64.7 m -85.71 -19.0 31.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.631 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.468 HD22 ' CB ' ' B' ' 52' ' ' SER . 10.1 m-80 -105.28 -18.98 13.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.306 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.59 HG13 ' N ' ' B' ' 57' ' ' SER . 8.8 p -71.43 -53.64 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.351 -0.54 . . . . 1.0 110.959 -177.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.59 ' N ' HG13 ' B' ' 56' ' ' VAL . 95.5 p -41.3 -55.29 2.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 1.0 111.4 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -63.64 -25.96 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.882 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' B' ' 56' ' ' VAL . 7.9 tt0 -69.18 -47.31 65.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.297 -177.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.83 -49.03 76.53 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.042 -0.263 . . . . 1.0 111.137 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -42.4 -53.11 4.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.848 0.356 . . . . 1.0 110.779 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 tp -48.89 -68.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.431 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' B' ' 63' ' ' LEU . 15.6 mt -40.85 -45.74 2.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.358 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -63.82 -47.51 80.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.933 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.7 p -57.67 -35.83 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.272 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' B' ' 67' ' ' HIS . 19.2 t -77.7 -13.26 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.915 -178.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.44 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 2.1 t-80 82.51 14.35 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.328 0.393 . . . . 1.0 111.107 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.4 mt -78.12 -2.3 36.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 177.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.533 HG22 ' N ' ' B' ' 70' ' ' LYS . 4.3 p -169.01 162.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.36 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.533 ' N ' HG22 ' B' ' 69' ' ' VAL . 33.5 ttmt -151.65 130.47 12.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.349 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.13 133.25 42.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.796 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -89.99 156.26 18.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.367 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -103.4 103.48 13.47 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -98.59 109.68 22.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.767 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' B' ' 76' ' ' GLN . . . 40.67 46.43 3.75 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.78 -0.528 . . . . 1.0 111.78 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' B' ' 75' ' ' GLY . 5.5 tp-100 95.03 -43.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.377 0.671 . . . . 1.0 110.551 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 32.2 t -63.69 178.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.571 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 11.8 ptp -153.13 142.02 21.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.428 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.2 mt -146.26 124.82 4.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.127 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -68.51 144.32 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.655 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 30.2 t -160.68 139.16 10.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -67.77 122.08 17.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.27 -68.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.553 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.04 104.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.654 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.508 ' H ' ' CD1' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -74.66 8.43 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.738 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -85.51 -46.26 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.909 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.42 HG13 ' N ' ' B' ' 88' ' ' ALA . 10.1 p -72.4 -36.88 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.952 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.42 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -56.69 -46.95 80.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.701 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 5.9 t -75.71 -18.35 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.94 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 27.5 ttt -80.54 -28.1 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 1.0 110.704 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.92 -39.93 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -61.56 -60.61 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.571 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -46.7 -34.02 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.876 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.44 -53.25 24.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.899 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.442 ' O ' HG22 ' B' ' 95' ' ' ILE . 66.6 mt -79.75 -7.92 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.637 -178.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -77.44 -68.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.702 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.796 -179.486 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.4 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.766 0.317 . . . . 1.0 110.64 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.4 p -68.82 -42.02 77.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.541 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.461 ' O ' HD23 ' A' ' 13' ' ' LEU . 2.7 tt -63.55 -48.42 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.933 0.397 . . . . 1.0 110.06 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -48.71 -25.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.66 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -68.65 -45.34 72.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.585 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.459 ' H ' HG23 ' A' ' 16' ' ' VAL . 3.2 t -61.9 -18.99 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.669 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 p -79.53 -28.34 41.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.107 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.26 -29.91 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.258 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.446 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 19.6 mt -66.82 -67.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.373 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -51.88 -42.56 62.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.572 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -64.26 -13.32 48.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.85 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -63.79 -50.34 69.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.847 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 23' ' ' LEU . 10.0 mp -53.48 170.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.33 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.59 -100.26 0.15 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.712 -0.955 . . . . 1.0 110.712 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 40.5 m-20 -79.13 129.23 34.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.689 0.28 . . . . 1.0 110.554 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 28' ' ' ARG . 6.7 m-85 -42.94 -52.03 5.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.271 -178.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -48.09 -11.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.094 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' TYR . 58.0 ttt-85 -61.2 -40.11 92.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.778 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.1 mt -78.56 -42.84 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.708 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -53.24 -55.1 27.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.966 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 32' ' ' MET . 20.9 tt -62.14 -37.83 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.835 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.441 ' N ' HG23 ' A' ' 31' ' ' ILE . 69.7 mtp -68.75 -14.71 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.443 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 37' ' ' VAL . 30.7 tt0 -72.23 -64.06 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.492 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.8 tp -53.34 -32.69 50.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.355 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.45 ' C ' HD23 ' A' ' 35' ' ' LEU . 1.5 tt -69.09 -67.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.645 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 m -51.78 -24.5 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.982 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 33' ' ' GLU . 74.8 t -85.2 -23.01 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.483 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t -169.95 132.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 1.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -81.85 152.15 27.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.657 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' HB3' ' CG2' ' A' ' 45' ' ' ILE . . . -162.2 -177.86 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.367 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.517 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 3.0 p -67.2 161.96 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.481 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 43' ' ' GLY . 8.4 p -68.78 -42.87 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.531 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.521 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -84.77 -56.67 2.43 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.328 -0.463 . . . . 1.0 112.062 -176.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.517 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 0.8 OUTLIER -40.01 -42.96 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.797 0.295 . . . . 1.0 111.797 -176.239 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.427 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 32.8 pt -61.76 -28.7 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.129 -177.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.4 p -70.27 -46.04 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.297 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -52.65 33.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.192 -177.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.14 -31.16 70.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.937 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.1 tp -81.82 -9.57 59.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.57 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 62.04 71.88 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.905 0.384 . . . . 1.0 109.993 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -156.86 159.23 37.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.119 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.7 m -80.33 115.41 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.486 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' VAL . 4.0 pt20 -58.44 -46.05 87.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.422 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 53' ' ' GLN . 6.2 m -39.4 -37.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.283 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -81.48 -38.28 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.449 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 59' ' ' GLN . 88.0 t -52.34 -72.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.6 p -42.62 -39.49 2.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.03 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -75.79 -26.48 57.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.664 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' VAL . 47.0 tt0 -71.96 -50.19 31.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.936 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 mt -58.25 -38.29 76.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 1.0 110.498 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -46.2 -46.22 17.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.907 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 62' ' ' LEU . 2.0 tt -63.97 -66.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.422 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.9 mp -41.78 -52.14 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.857 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -44.47 -39.24 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 1.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 t -73.16 -24.1 60.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.879 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.469 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 6.8 t -80.57 -7.81 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.787 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 8.4 m-70 75.64 18.58 2.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.52 -0.309 . . . . 1.0 111.198 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -87.71 -24.26 23.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.651 -0.25 . . . . 1.0 110.642 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.9 m -139.32 133.99 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.924 0.392 . . . . 1.0 110.477 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -107.82 131.8 54.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.273 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.71 155.85 19.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.481 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -155.25 138.92 16.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.676 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -97.66 106.07 18.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.25 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -152.72 158.15 41.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 1.0 110.735 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.03 -106.05 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.375 -0.69 . . . . 1.0 111.375 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.37 -72.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 1.0 111.089 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 79' ' ' ILE . 47.9 m -165.55 -167.52 1.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.925 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 51.4 mtt -57.16 77.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.017 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 77' ' ' SER . 78.0 mt -80.62 137.0 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 177.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -88.11 135.88 33.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.755 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 95.5 p -159.68 137.03 9.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.477 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.506 ' H ' ' CD2' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -74.8 -167.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.839 -179.512 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -157.61 -39.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.55 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -67.96 89.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.411 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.1 tt -58.75 -15.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.636 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -63.18 -55.11 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.518 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.1 t -48.48 -41.82 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.531 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.91 72.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.463 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 31.4 m -74.07 -48.53 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.591 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 34.7 ttm -43.38 -34.76 1.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.132 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' ALA . 35.1 mt -76.11 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.525 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -44.58 -41.13 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.665 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.7 -34.61 78.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.306 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -66.55 -49.41 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.426 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.92 -5.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.469 . . . . 1.0 110.139 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -98.12 -13.02 21.17 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.383 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.65 -179.545 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.817 0.342 . . . . 1.0 110.407 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 78.9 m -74.67 -48.91 23.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.476 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.46 ' O ' HD23 ' B' ' 13' ' ' LEU . 3.3 tt -49.24 -51.89 30.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.216 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' B' ' 14' ' ' GLU . 2.5 mp0 -47.61 -41.19 21.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.703 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 49.7 ttt85 -67.05 -36.95 83.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.644 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.37 -20.77 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.79 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.6 p -81.88 -28.47 32.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.163 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -65.38 -29.75 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.34 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.443 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 61.0 mt -70.38 -60.39 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.568 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -59.61 -39.48 84.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.846 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -75.14 -8.3 56.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.431 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -59.28 -45.71 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.589 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.581 HD12 ' N ' ' B' ' 23' ' ' LEU . 9.0 mp -50.47 165.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.14 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.94 -76.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.56 -176.19 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.733 0.302 . . . . 1.0 110.422 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -100.1 -50.04 4.1 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.944 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -79.73 2.83 21.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.752 -176.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -63.19 -24.07 67.72 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.509 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.567 HG23 ' N ' ' B' ' 30' ' ' ARG . 15.4 tt -80.91 -45.16 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.65 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.567 ' N ' HG23 ' B' ' 29' ' ' ILE . 36.0 ttp180 -41.36 -46.27 3.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.235 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' B' ' 34' ' ' LEU . 68.0 mt -57.64 -52.07 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.562 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 22.0 ttt -45.05 -40.45 6.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.718 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.58 -34.11 73.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.501 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' B' ' 31' ' ' ILE . 37.2 tp -71.54 -38.54 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.491 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 38' ' ' SER . 12.8 mt -70.67 -48.1 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.903 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.0 m -45.23 -22.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.783 0.325 . . . . 1.0 110.694 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' B' ' 35' ' ' LEU . 91.6 t -82.15 -40.78 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.371 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.429 ' N ' ' O ' ' B' ' 35' ' ' LEU . 14.1 p -176.1 -112.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.357 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -172.75 167.5 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 1.0 110.613 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.93 -177.85 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.622 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.4 t -62.57 159.05 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.45 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 t -72.75 -42.54 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.16 -178.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.02 -48.64 10.93 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.421 -0.671 . . . . 1.0 111.421 -178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -42.88 -63.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 1.0 111.122 -178.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 91.7 mt -39.1 -31.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.614 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -70.61 -47.14 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.433 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.48 ' C ' ' H ' ' B' ' 49' ' ' LEU . 23.5 m170 -78.94 -50.05 11.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.555 -176.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -68.8 11.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.969 -0.292 . . . . 1.0 111.319 -177.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' B' ' 47' ' ' HIS . 14.2 tp -133.65 1.2 3.35 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.92 0.39 . . . . 1.0 110.14 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 m120 60.02 63.23 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.707 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.415 HD11 HH21 ' B' ' 30' ' ' ARG . 98.1 mt -141.87 161.01 39.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.904 0.383 . . . . 1.0 110.134 176.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.483 ' C ' ' H ' ' B' ' 54' ' ' SER . 20.4 m -78.44 107.76 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.348 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -57.02 -4.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.852 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.517 ' O ' ' CD2' ' B' ' 58' ' ' HIS . 72.7 m -72.04 -44.85 62.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.531 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -81.94 -37.13 27.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.728 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 95.3 t -41.75 -71.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.213 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.5 m -47.44 -36.47 10.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.975 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' B' ' 54' ' ' SER . 10.3 m-70 -74.14 -24.81 59.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.24 -178.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -74.3 -45.14 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.806 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -56.14 -42.38 76.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 1.0 110.681 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -45.27 -62.22 1.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.927 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.475 ' C ' HD23 ' B' ' 62' ' ' LEU . 1.9 tt -53.24 -66.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.75 -178.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.457 HD12 ' N ' ' B' ' 63' ' ' LEU . 8.4 mp -43.95 -48.39 8.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.652 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -46.12 -34.21 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.714 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.0 m -81.3 -27.62 34.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.988 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.66 -12.53 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.764 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 t60 78.62 17.47 1.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.285 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.98 -10.06 55.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.758 0.313 . . . . 1.0 110.53 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -153.53 149.95 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.368 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -120.51 -163.2 0.99 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.252 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.28 156.16 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.444 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -154.48 160.92 41.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 1.0 110.51 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -140.01 121.87 15.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.892 -0.595 . . . . 1.0 109.943 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.477 ' C ' ' H ' ' B' ' 76' ' ' GLN . 42.7 tt0 -151.41 88.36 1.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.861 0.362 . . . . 1.0 110.808 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.3 -30.01 0.99 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' B' ' 74' ' ' GLN . 82.2 mt-30 -85.88 -104.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.58 0.229 . . . . 1.0 110.415 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 57.1 m -160.64 -167.68 1.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 1.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 53.9 mtt -74.94 75.62 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.398 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 82.4 mt -92.17 117.99 36.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.752 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -75.43 153.52 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.659 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -170.07 -152.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.402 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.594 ' H ' HD23 ' B' ' 82' ' ' LEU . 0.6 OUTLIER -157.01 -168.82 2.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.454 179.295 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -159.48 -24.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.216 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 25.0 p-10 -71.25 91.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 1.0 110.793 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' B' ' 88' ' ' ALA . 17.9 tt -74.16 -12.24 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.447 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -54.29 -57.22 12.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.874 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.82 -28.96 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.754 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 85' ' ' ILE . . . -54.51 -45.28 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 1.0 110.738 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 30.8 p -70.41 -43.37 70.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.789 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 71.2 mmm -42.65 -36.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.199 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 24.5 mt -76.23 -43.26 42.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 1.0 110.432 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.32 -55.96 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.684 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -50.32 -30.62 12.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.688 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.501 ' O ' ' ND1' ' B' ' 97' ' ' HIS . . . -74.99 -43.68 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.699 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.443 ' O ' HG22 ' B' ' 95' ' ' ILE . 77.1 mt -79.87 -10.22 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.603 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -26.57 35.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.529 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.501 ' ND1' ' O ' ' B' ' 94' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.624 179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.823 0.344 . . . . 1.0 110.828 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 16' ' ' VAL . 47.1 p -56.83 -48.41 78.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.821 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.3 mt -81.82 -32.83 31.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.753 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' OG1' ' A' ' 17' ' ' THR . 59.8 tt0 -49.39 -44.26 44.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.735 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.58 -34.11 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.725 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 12' ' ' THR . 58.3 t -73.2 -23.52 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.671 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 13.3 p -77.15 -21.31 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.148 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -77.35 -31.44 54.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.464 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 60.8 mt -61.73 -57.57 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.593 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -59.84 -41.7 91.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.81 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -63.89 -5.09 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.796 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -79.41 -41.71 27.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 1.0 110.554 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 mt -38.53 120.37 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.323 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.25 -128.57 4.55 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.658 -0.977 . . . . 1.0 110.658 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 26' ' ' TYR . 21.0 t0 -80.69 141.02 35.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.701 0.286 . . . . 1.0 110.485 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.429 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 23.0 m-85 -46.44 -29.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.98 -178.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.402 ' OD1' ' NH2' ' A' ' 30' ' ' ARG . 22.6 m-80 -60.89 -6.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 1.0 110.67 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.476 ' HE ' HD21 ' A' ' 63' ' ' LEU . 57.6 ttt-85 -62.23 -48.97 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.137 -178.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.595 HG23 ' N ' ' A' ' 30' ' ' ARG . 10.4 tp -53.25 -48.0 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.746 -178.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.595 ' N ' HG23 ' A' ' 29' ' ' ILE . 41.5 ttp180 -44.68 -53.15 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.794 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' LEU . 80.0 mt -67.74 -54.78 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.75 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 32' ' ' MET . 1.9 tmt? -43.29 -29.51 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.033 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -75.75 -36.77 59.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.627 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' ILE . 32.3 tp -60.4 -37.1 79.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.507 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.501 ' N ' HD22 ' A' ' 35' ' ' LEU . 3.3 mm? -65.46 -45.41 83.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.185 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -46.33 -25.03 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.361 . . . . 1.0 110.585 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.424 ' O ' ' OG ' ' A' ' 38' ' ' SER . 12.5 t -84.92 -50.73 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.987 -179.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 47.5 m -167.66 -131.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.609 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 1.6 pm0 -154.12 160.99 42.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.351 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.36 -177.77 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.587 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 p -76.58 174.6 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.378 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -73.02 -42.07 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.079 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.3 -49.85 7.98 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.538 -0.625 . . . . 1.0 111.538 -178.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -43.02 -53.67 4.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 1.0 110.968 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.2 mt -54.03 -33.97 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 m -69.94 -71.84 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 1.0 111.203 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -57.08 -48.16 79.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.204 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -37.23 -68.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 1.0 112.037 -176.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.469 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 0.6 OUTLIER -97.36 38.29 1.28 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 122.335 -0.228 . . . . 1.0 111.517 -178.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 49' ' ' LEU . 8.2 p30 45.88 98.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.275 0.559 . . . . 1.0 111.756 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' CD1' ' NH2' ' A' ' 30' ' ' ARG . 6.9 tp -164.3 152.31 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.472 -0.785 . . . . 1.0 109.508 176.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.4 p -80.37 114.28 19.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.721 0.296 . . . . 1.0 111.125 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -66.22 -2.46 4.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.813 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 t -70.64 -46.37 63.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.611 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 59' ' ' GLN . 35.7 t30 -79.35 -35.29 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.785 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.5 t -45.58 -76.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.879 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.6 p -42.8 -44.88 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.239 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.13 -24.79 60.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.826 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 55' ' ' ASN . 7.8 tt0 -73.0 -51.89 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.905 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.27 -31.7 72.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.34 . . . . 1.0 110.664 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -51.77 -58.5 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.571 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.4 tp -47.96 -56.45 7.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.465 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 63' ' ' LEU . 7.7 mp -52.19 -48.93 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.716 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -45.92 -50.01 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 1.0 110.905 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 m -65.66 -32.67 74.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.797 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 66' ' ' VAL . 92.1 t -76.57 -7.32 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.658 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.6 m80 68.15 17.08 9.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.726 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -76.99 -9.85 58.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.033 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -152.03 147.13 15.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.402 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -96.89 128.52 43.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.158 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.8 103.05 15.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.931 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' ILE . 81.7 tttt -92.49 119.29 31.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.727 -0.471 . . . . 1.0 109.727 177.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -140.48 123.97 16.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.097 0.475 . . . . 1.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' GLN . 8.3 tt0 -89.94 121.93 32.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.868 -0.605 . . . . 1.0 109.644 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.07 -94.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' GLN . 24.8 mt-30 -125.41 87.7 2.74 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.9 t -173.69 124.4 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.3 mtt -87.12 121.08 29.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.085 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 72' ' ' LYS . 10.5 mt -146.36 100.34 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.144 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -82.03 146.51 29.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 1.0 110.926 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.9 p -165.64 149.61 8.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.804 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.38 120.23 28.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.48 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -84.15 -13.56 52.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -76.19 146.25 39.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.516 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 86' ' ' HIS . 2.1 pp -111.51 0.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.298 178.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.606 ' N ' HD12 ' A' ' 85' ' ' ILE . 2.2 t60 -89.44 -61.57 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.643 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.2 t -45.6 -48.49 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.753 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.94 -52.62 23.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.993 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.9 p -72.57 -46.87 52.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.739 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 90' ' ' MET . 1.5 tmt? -47.08 -27.39 1.35 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.456 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 tp -72.67 -55.21 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 96' ' ' HIS . 0.7 OUTLIER -56.82 -47.55 80.02 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 178.41 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -48.08 -37.39 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.91 -51.36 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.486 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 95' ' ' ILE . 76.4 mt -76.28 -6.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.446 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 92' ' ' LYS . 69.1 t60 -71.94 -45.33 61.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.37 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 74.2 t60 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.521 179.633 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.803 0.335 . . . . 1.0 110.75 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.2 p -70.0 -37.14 75.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.555 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 tp -52.64 -48.4 66.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.98 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -47.71 -28.6 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -82.07 -24.26 35.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.969 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.5 t -74.82 -27.03 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.967 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.423 ' H ' HG22 ' B' ' 17' ' ' THR . 2.0 t -81.9 -29.93 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.139 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -59.49 -38.99 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.191 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.77 -68.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.409 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -50.9 -40.96 58.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.673 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -59.14 -32.84 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.9 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.23 -44.84 79.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.845 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 tp -37.6 113.69 0.28 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.477 -178.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.87 -139.54 8.21 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.97 141.31 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 1.0 110.713 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.523 ' CE2' ' OD1' ' B' ' 27' ' ' ASN . 29.9 p90 -47.44 -22.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.767 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.523 ' OD1' ' CE2' ' B' ' 26' ' ' TYR . 30.8 m-20 -59.95 -9.56 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 1.0 110.407 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -68.92 -37.52 78.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.796 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mt -58.78 -63.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.596 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -43.11 -46.0 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.81 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.68 -57.29 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.436 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 36.0 tpp -48.88 -37.9 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.847 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.17 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.729 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 56.3 tp -46.34 -27.76 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.481 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -60.48 -34.38 73.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.106 0.479 . . . . 1.0 109.926 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.5 t -40.65 -21.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.279 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' B' ' 35' ' ' LEU . 2.1 p -175.36 86.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.331 0.586 . . . . 1.0 110.1 178.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 29.2 m -171.88 179.99 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.643 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -174.59 124.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.314 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.33 -177.61 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 1.0 110.825 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.1 p -78.68 -177.74 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.502 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 t -77.87 -33.93 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.737 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.39 -51.11 4.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.137 -0.785 . . . . 1.0 111.137 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -44.79 -65.65 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 1.0 110.875 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.416 HG23 ' N ' ' B' ' 46' ' ' SER . 18.8 tt -50.29 -36.27 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.639 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.416 ' N ' HG23 ' B' ' 45' ' ' ILE . 30.9 m -72.78 -67.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.175 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -52.66 -51.19 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.237 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.476 ' C ' ' H ' ' B' ' 50' ' ' ASN . 80.5 mm-40 -48.92 -63.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.058 -178.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.74 13.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.281 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.476 ' H ' ' C ' ' B' ' 48' ' ' GLN . 2.0 m120 60.36 65.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 1.0 111.115 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 mt -136.21 148.71 48.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.87 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.468 ' C ' ' H ' ' B' ' 54' ' ' SER . 20.1 t -77.02 106.04 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.162 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -58.53 -2.76 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.005 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.468 ' H ' ' C ' ' B' ' 52' ' ' SER . 20.5 t -76.88 -43.74 34.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.419 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' B' ' 59' ' ' GLN . 49.2 t30 -82.67 -40.93 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.648 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' B' ' 59' ' ' GLN . 63.9 t -45.34 -74.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.806 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 57.6 p -46.01 -41.09 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.686 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -70.93 -20.3 62.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.73 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' B' ' 56' ' ' VAL . 10.9 tt0 -78.97 -42.42 26.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.781 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.3 mt -59.3 -39.91 84.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.405 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.29 -56.28 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.609 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.473 ' C ' HD23 ' B' ' 62' ' ' LEU . 2.0 tt -49.24 -70.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.213 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.552 HD12 ' N ' ' B' ' 63' ' ' LEU . 10.0 mp -41.76 -51.08 4.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.831 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.422 ' NZ ' ' CB ' ' B' ' 64' ' ' LYS . 2.6 ttmp? -50.11 -39.32 42.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 1.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -72.34 -23.42 61.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.666 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.465 ' O ' HG12 ' B' ' 66' ' ' VAL . 43.5 t -77.23 -5.08 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.584 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 38.9 t60 68.68 11.8 8.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.471 ' C ' HD23 ' B' ' 68' ' ' LEU . 2.0 tt -82.07 -74.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.802 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.408 HG12 ' N ' ' B' ' 70' ' ' LYS . 24.6 t -85.17 155.82 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.625 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.455 ' NZ ' ' H ' ' B' ' 83' ' ' ASP . 23.4 pttm -139.17 -163.54 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.04 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -164.38 -166.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.411 . . . . 1.0 110.815 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -153.21 143.3 22.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.043 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -88.22 114.77 25.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.98 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -118.64 88.84 3.0 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.74 -130.83 23.19 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.312 -1.115 . . . . 1.0 110.312 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -81.25 -28.59 34.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 1.0 110.547 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -75.73 -174.61 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.933 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.2 ttt -163.78 96.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.882 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.405 HD13 HG21 ' B' ' 79' ' ' ILE . 16.6 mt -82.96 120.88 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.126 -177.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -79.05 157.4 28.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.4 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 19.6 t -168.76 178.67 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.985 0.421 . . . . 1.0 111.155 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.9 tp -156.29 102.44 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.841 -0.618 . . . . 1.0 109.654 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.455 ' H ' ' NZ ' ' B' ' 70' ' ' LYS . 25.0 t0 -77.18 4.31 10.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.814 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -80.89 87.23 5.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 1.0 110.631 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 25.1 pt -73.59 8.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.53 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -81.95 -48.14 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.666 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.409 HG13 ' N ' ' B' ' 88' ' ' ALA . 12.4 p -77.78 -36.56 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.676 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.409 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -47.34 -55.33 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.525 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 3.4 t -63.41 -40.35 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.715 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 10.8 ttt -44.18 -34.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.945 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 94' ' ' ALA . 16.8 mt -73.83 -57.95 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.258 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -47.82 -27.88 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.278 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -69.78 -33.55 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.529 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -67.2 -44.55 79.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.417 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.709 HD12 ' N ' ' B' ' 95' ' ' ILE . 1.8 mp -75.52 -6.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.087 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -71.14 -64.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 1.0 110.288 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.112 178.767 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.655 0.264 . . . . 1.0 110.752 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.7 m -81.53 -69.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.502 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 15' ' ' ARG . 2.4 tt -56.93 -45.38 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.502 . . . . 1.0 109.8 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -43.71 -17.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.932 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 13' ' ' LEU . 10.0 tpt180 -64.47 -57.65 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.314 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.447 ' H ' HG23 ' A' ' 16' ' ' VAL . 4.8 t -57.69 -18.7 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.532 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 m -79.59 -28.11 41.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.513 . . . . 1.0 109.824 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.78 -33.4 72.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.294 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.4 mt -66.58 -69.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.495 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -50.99 -41.7 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.675 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.92 -28.55 57.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.684 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.44 86.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.732 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.5 mm? -49.75 142.78 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 1.0 109.918 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.57 -126.77 1.58 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.784 -0.926 . . . . 1.0 110.784 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.46 132.54 54.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 1.0 110.722 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -68.98 -12.59 61.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.847 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -68.32 -20.09 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 1.0 110.462 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -64.46 -33.69 76.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.783 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.4 -52.25 54.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.511 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -47.46 -41.49 20.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.754 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 mt -64.39 -61.82 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.428 ' O ' ' OG ' ' A' ' 36' ' ' SER . 62.5 mtt -46.2 -24.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.779 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -73.87 -32.4 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.969 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -90.97 -41.69 10.98 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.062 0.458 . . . . 1.0 110.227 -179.059 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 tp -74.94 -57.63 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.459 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 32' ' ' MET . 2.9 m -52.11 -14.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.244 0.461 . . . . 1.0 112.244 -175.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.4 m -102.83 -23.44 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 122.4 -0.188 . . . . 1.0 111.221 -178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 m -156.29 145.49 20.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.868 0.366 . . . . 1.0 110.749 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.4 143.9 29.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.751 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.82 -178.72 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.347 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.459 ' O ' HG22 ' A' ' 45' ' ' ILE . 24.2 p -77.59 176.8 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 43' ' ' GLY . 14.6 p -78.56 -38.48 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.873 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.472 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -85.63 -56.98 2.26 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.246 -0.742 . . . . 1.0 111.246 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.42 -41.84 4.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.316 . . . . 1.0 110.961 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 41' ' ' SER . 17.8 tt -70.75 -30.31 41.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.552 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' GLY . 29.6 p -76.36 -58.28 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.916 -179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.516 ' CD2' ' OE1' ' A' ' 53' ' ' GLN . 34.2 m80 -50.52 -51.73 44.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.791 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -55.06 -45.77 75.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.086 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.93 4.81 11.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.255 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 60.22 60.55 2.03 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.886 -0.326 . . . . 1.0 111.051 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 mt -133.39 151.91 51.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.972 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 54' ' ' SER . 18.0 m -78.53 107.12 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.594 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.63 ' H ' ' NE2' ' A' ' 53' ' ' GLN . 1.8 pm0 -57.24 -3.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.795 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 52' ' ' SER . 7.0 m -77.8 -44.64 26.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.498 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.406 ' CB ' HE21 ' A' ' 59' ' ' GLN . 15.4 m-20 -79.07 -37.07 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.584 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.1 t -44.31 -66.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 t -43.34 -36.97 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -77.7 -30.94 52.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.74 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' VAL . 54.8 mt-30 -67.65 -54.22 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.768 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 14.0 mt -50.3 -45.75 54.85 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.619 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -37.79 -51.58 1.27 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.508 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.9 tp -58.39 -55.27 37.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.743 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.8 mp -53.48 -52.82 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.518 -176.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -32.69 71.73 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.817 -177.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -81.06 8.79 7.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.461 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 66' ' ' VAL . 61.6 t -126.06 -3.98 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.065 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 71.09 16.65 6.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.884 0.373 . . . . 1.0 110.383 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tp -80.89 -14.95 57.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.2 t -149.44 133.16 8.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.632 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -96.96 107.28 19.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.197 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.56 160.21 17.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.513 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -150.3 150.05 30.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.176 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 123.62 18.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.023 0.44 . . . . 1.0 110.277 -179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -160.26 81.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.051 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.86 -175.36 20.62 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.774 -1.33 . . . . 1.0 109.774 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -56.13 -65.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.619 -0.432 . . . . 1.0 109.893 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.446 ' C ' ' SD ' ' A' ' 78' ' ' MET . 51.6 p -70.9 -169.45 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.462 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 77' ' ' SER . 2.1 mpt? -140.51 157.26 45.76 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.345 -0.389 . . . . 1.0 109.992 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 79' ' ' ILE . 8.6 mt -146.47 107.4 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.624 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 6.6 p90 -108.84 152.29 25.09 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.017 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 m -167.18 174.05 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 1.0 110.715 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.603 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.9 mp -83.17 -172.42 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 1.0 109.915 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -159.65 -50.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.57 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.9 102.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.9 pt -73.09 4.23 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.584 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -81.03 -47.24 13.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.711 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 88' ' ' ALA . 12.3 p -79.09 -39.44 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.007 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.461 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -53.1 -50.69 63.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.764 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.4 m -67.36 -40.31 85.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.843 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 90' ' ' MET . 12.8 tmm? -45.87 -31.84 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.588 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -76.6 -62.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.106 179.439 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 68.2 mttm -50.12 -36.88 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.464 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.99 -22.86 67.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.385 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -76.02 -47.52 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.502 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 95' ' ' ILE . 63.9 mt -74.16 -6.35 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.178 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 92' ' ' LYS . 1.9 m-70 -81.77 -46.88 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.868 -179.012 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.866 0.365 . . . . 1.0 110.654 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' B' ' 15' ' ' ARG . 20.5 p -67.43 -40.75 85.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.857 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 15' ' ' ARG . 22.6 tp -51.22 -55.06 20.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 1.0 110.799 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -41.09 -24.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.702 0.287 . . . . 1.0 111.524 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' B' ' 13' ' ' LEU . 18.9 mmm180 -57.94 -61.31 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.025 -0.27 . . . . 1.0 111.469 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.523 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 3.9 m -61.85 -19.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.981 -177.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -77.08 -18.66 57.87 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.006 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -80.27 -44.08 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.075 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 13.2 pt -61.52 -41.55 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.321 -176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 30.0 m-85 -74.97 -45.16 44.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.41 -0.516 . . . . 1.0 110.526 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -64.07 -16.48 61.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 1.0 110.539 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.37 82.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.472 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 41.6 mt -52.8 166.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.502 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.478 ' N ' ' NH1' ' B' ' 28' ' ' ARG . . . -160.69 -26.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -153.89 128.98 9.63 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.932 -0.395 . . . . 1.0 109.932 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' B' ' 27' ' ' ASN . 44.8 p90 -59.93 -43.59 94.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.988 -178.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.621 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 34.1 p30 -46.02 -16.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.125 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.478 ' NH1' ' N ' ' B' ' 24' ' ' GLY . 99.4 mtt180 -65.45 -16.39 63.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.967 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.581 HG23 ' N ' ' B' ' 30' ' ' ARG . 21.3 tt -73.85 -48.7 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.481 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.581 ' N ' HG23 ' B' ' 29' ' ' ILE . 79.5 mtt85 -44.19 -54.92 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.953 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.9 pt -66.27 -31.6 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.726 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 18.1 ttt -62.91 -45.77 90.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.839 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -55.11 -50.74 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.647 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.36 -38.86 92.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.698 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.2 OUTLIER -66.31 -50.15 64.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 1.0 109.972 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.7 t -44.6 -15.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.197 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.5 p -162.71 75.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.548 0.69 . . . . 1.0 111.142 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 91.5 p -173.65 -165.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.478 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -171.52 114.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.013 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.98 -177.67 5.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.786 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.6 t -74.49 -176.27 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.229 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 26.2 m -86.61 -29.37 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.63 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -91.54 -53.18 2.17 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.272 -0.731 . . . . 1.0 111.272 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.569 ' ND1' ' N ' ' B' ' 44' ' ' HIS . 1.1 m-70 -42.98 -32.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 1.0 111.339 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.6 pt -77.71 -26.84 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.951 -178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.49 ' N ' ' O ' ' B' ' 43' ' ' GLY . 15.2 m -74.95 -51.38 13.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.102 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -64.28 -52.58 57.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.937 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -54.8 -46.45 74.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.135 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -76.83 8.95 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.621 -0.263 . . . . 1.0 110.82 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 61.37 56.78 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.294 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 97.3 mt -136.05 158.2 44.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.938 0.399 . . . . 1.0 110.489 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.49 ' C ' ' H ' ' B' ' 54' ' ' SER . 58.6 m -80.55 109.54 15.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.438 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.607 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 5.6 pm0 -57.77 -1.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 1.0 111.183 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.49 ' H ' ' C ' ' B' ' 52' ' ' SER . 4.4 m -78.13 -44.77 25.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.707 0.289 . . . . 1.0 110.73 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -81.84 -37.95 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.941 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' B' ' 59' ' ' GLN . 96.4 t -43.64 -65.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.055 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.6 m -41.66 -35.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.494 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -76.87 -24.5 52.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.59 -0.277 . . . . 1.0 111.066 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' B' ' 56' ' ' VAL . 20.6 mt-30 -66.72 -50.54 62.47 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.81 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.96 -42.64 90.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 1.0 110.731 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -44.78 -55.4 5.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.657 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 59.2 tp -48.76 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.112 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.571 HD12 ' N ' ' B' ' 63' ' ' LEU . 9.8 mp -42.0 -56.84 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.015 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -42.28 -32.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.226 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 29.1 m -83.24 -31.69 26.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.215 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.466 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 13.1 t -77.36 -6.27 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.084 -177.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.466 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 11.2 m-70 75.24 21.29 1.9 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.693 -0.23 . . . . 1.0 111.523 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 29.5 mt -89.87 -5.14 57.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.758 -0.201 . . . . 1.0 110.839 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 30.7 m -149.6 139.1 15.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.89 0.376 . . . . 1.0 110.755 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -114.65 117.55 31.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.893 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.45 121.8 32.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.087 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.422 ' N ' ' CD ' ' B' ' 72' ' ' LYS . 1.9 mptp? -89.95 138.08 31.8 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 177.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -137.79 104.58 5.33 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.98 0.419 . . . . 1.0 110.796 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.405 ' N ' ' CD ' ' B' ' 74' ' ' GLN . 4.2 mp0 -90.3 124.79 35.18 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.212 -0.662 . . . . 1.0 109.212 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.54 -103.57 0.06 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.209 -1.156 . . . . 1.0 110.209 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -124.12 88.52 2.92 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 44.2 m -171.31 107.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.539 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 69.0 mtp -86.65 121.59 29.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.845 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.01 117.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.25 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -79.55 139.46 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.035 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 7.9 t -154.21 131.76 11.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' B' ' 84' ' ' ASP . 40.8 tp -96.07 112.59 24.28 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.806 178.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -44.57 -29.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.87 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' B' ' 88' ' ' ALA . 33.7 t0 35.79 92.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.659 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.574 HG23 ' N ' ' B' ' 86' ' ' HIS . 6.4 tp -111.47 -48.98 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 110.061 -0.348 . . . . 1.0 110.061 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.574 ' N ' HG23 ' B' ' 85' ' ' ILE . 34.4 m80 -107.12 -42.81 4.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.479 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 91.3 t -45.29 -42.94 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.698 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' B' ' 84' ' ' ASP . . . -42.44 -64.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.345 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.416 ' O ' ' N ' ' B' ' 92' ' ' LYS . 70.2 p -74.23 -52.27 12.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.921 -178.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 39.0 ttm -41.72 -38.05 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.345 -0.388 . . . . 1.0 111.436 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.89 -36.61 56.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 1.0 110.234 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' B' ' 89' ' ' THR . 33.7 ttmt -63.21 -61.26 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.449 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -46.86 -37.14 8.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.584 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.76 -49.14 74.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.615 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.459 ' O ' HG22 ' B' ' 95' ' ' ILE . 93.8 mt -74.76 -7.98 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.71 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -83.12 -24.29 32.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 1.0 110.469 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.697 -179.542 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.545 ' CG ' HH12 ' A' ' 15' ' ' ARG . 29.7 t70 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.848 0.356 . . . . 1.0 110.248 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.3 m -60.38 -51.42 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.423 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -55.46 -42.81 74.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.536 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -48.34 -27.4 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.842 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.545 HH12 ' CG ' ' A' ' 11' ' ' ASP . 59.3 mmt-85 -66.53 -61.01 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.241 -178.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 p -70.51 -22.23 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 1.0 110.71 -178.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 m -73.12 -38.7 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.705 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.25 -41.9 94.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.609 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.4 mm -47.43 -65.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -50.04 -41.47 47.73 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.524 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -59.67 -52.42 65.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.769 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.33 -43.92 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.652 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 24' ' ' GLY . 3.1 tt -37.32 115.56 0.41 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.307 -178.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.495 ' N ' HD23 ' A' ' 23' ' ' LEU . . . -85.73 -148.82 11.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ASN . 6.1 m-20 -66.35 144.47 56.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 1.0 110.51 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' C ' ' H ' ' A' ' 28' ' ' ARG . 14.0 m-85 -41.45 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.285 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ASP . 87.3 m-20 -59.61 -3.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.525 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 26' ' ' TYR . 63.2 ttt-85 -67.13 -35.14 79.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.644 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.9 mm -67.91 -58.01 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.687 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -37.23 -60.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.616 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.15 -52.22 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.834 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.9 tpt -44.69 -33.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.531 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -64.83 -76.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.497 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.6 tp -55.49 -32.5 62.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.528 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' C ' ' N ' ' A' ' 37' ' ' VAL . 36.2 tp -63.89 -30.13 71.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.144 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.4 p -47.87 -16.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.288 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 37' ' ' VAL . 4.5 p -178.04 105.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.758 -0.655 . . . . 1.0 109.942 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' GLU . 99.6 p -163.36 -48.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.922 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' SER . 70.2 mm-40 51.02 97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.155 -0.313 . . . . 1.0 110.155 -178.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.423 ' O ' HG22 ' A' ' 79' ' ' ILE . . . -159.37 -177.62 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.782 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -69.27 166.73 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.596 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 t -77.15 -37.39 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.916 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.92 -62.08 1.87 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.373 -0.691 . . . . 1.0 111.373 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.579 ' ND1' ' N ' ' A' ' 44' ' ' HIS . 1.3 m-70 -42.45 -56.2 3.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.718 0.294 . . . . 1.0 111.288 -178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.0 tt -43.6 -27.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.135 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -80.05 -44.43 20.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.106 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -54.39 -56.85 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.455 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -66.1 -31.55 72.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 1.0 110.695 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.3 tp -75.02 -13.51 60.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.286 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.39 80.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.483 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.68 156.66 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.197 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 54' ' ' SER . 39.6 m -79.14 111.89 15.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.621 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.03 -1.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.592 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 52' ' ' SER . 47.7 t -72.45 -41.89 65.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.463 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' GLN . 7.9 m-80 -81.91 -33.15 30.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.721 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 59' ' ' GLN . 93.0 t -46.11 -74.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.703 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.4 t -41.26 -40.77 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.33 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -76.2 -27.78 57.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.548 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 56' ' ' VAL . 57.0 tt0 -65.3 -60.29 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.917 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.07 -36.89 73.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.697 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -44.91 -56.06 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.828 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 62' ' ' LEU . 2.3 tt -56.04 -64.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.508 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.7 mp -46.17 -55.45 7.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.563 -178.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.29 -26.68 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.607 -0.269 . . . . 1.0 111.176 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 p -67.94 -31.7 71.63 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.837 -0.345 . . . . 1.0 111.024 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 m -108.97 29.46 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.888 -178.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 55.72 19.41 3.38 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.741 0.645 . . . . 1.0 112.741 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.6 mt -74.26 -17.39 60.87 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.241 -0.584 . . . . 1.0 110.004 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 69' ' ' VAL . 33.6 m -151.17 129.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.203 179.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -100.45 135.14 42.35 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.646 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 157.41 18.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.306 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -154.24 143.6 21.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.958 0.408 . . . . 1.0 110.622 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.54 125.16 19.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.712 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -146.47 80.15 1.55 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.936 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.18 -29.16 1.92 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.33 -0.708 . . . . 1.0 111.33 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -82.41 -98.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.755 0.312 . . . . 1.0 110.49 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.0 t -158.99 -174.85 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.4 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 16.1 ttt -75.73 75.75 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.474 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 40' ' ' ALA . 14.8 pt -97.86 135.39 32.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.406 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -79.11 162.43 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.842 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 t -154.5 127.98 8.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.631 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.557 HD23 ' N ' ' A' ' 83' ' ' ASP . 2.6 tt -80.47 114.21 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.293 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.557 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -69.41 -58.51 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.567 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.18 78.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.613 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.9 tt -65.54 -26.12 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.751 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -51.94 -20.36 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.811 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.87 -37.38 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.762 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.45 -53.94 38.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.271 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.428 HG22 ' H ' ' A' ' 89' ' ' THR . 0.0 OUTLIER -70.75 -43.73 68.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.964 -178.016 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.8 tpp -55.56 -25.68 39.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.735 0.303 . . . . 1.0 110.89 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.43 ' O ' HD23 ' A' ' 91' ' ' LEU . 3.2 tt -73.71 -55.64 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 1.0 110.278 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -42.19 -48.89 4.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.992 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -56.64 -37.26 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.497 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -60.59 -52.29 65.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.649 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mm -60.0 -10.54 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.891 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -102.1 -7.05 22.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.775 0.321 . . . . 1.0 110.33 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.827 -179.134 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.774 0.321 . . . . 1.0 110.74 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.1 p -60.79 -48.83 80.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.554 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 16' ' ' VAL . 11.4 tp -67.94 -36.02 79.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.09 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -45.39 -44.85 12.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.748 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -53.88 -31.54 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.207 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' B' ' 13' ' ' LEU . 8.7 t -77.92 -24.78 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.434 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.4 m -74.67 -19.3 60.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.556 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -85.74 -58.12 2.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.335 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.547 HG23 ' N ' ' B' ' 20' ' ' PHE . 15.1 tt -43.66 -45.75 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.578 -0.283 . . . . 1.0 111.269 -177.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.547 ' N ' HG23 ' B' ' 19' ' ' ILE . 38.8 m-85 -70.43 -40.46 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.358 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -58.49 -28.91 65.82 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.499 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.73 -43.41 47.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.361 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 mt -52.6 146.62 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.406 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.84 -120.65 0.96 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -49.35 111.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 1.0 110.549 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -50.27 -33.39 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.888 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -61.13 -5.42 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.928 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.61 -27.12 68.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.032 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.568 HG23 ' N ' ' B' ' 30' ' ' ARG . 17.8 tt -65.19 -47.86 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.784 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.568 ' N ' HG23 ' B' ' 29' ' ' ILE . 13.7 mtp-105 -50.1 -36.78 30.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.738 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.6 mt -77.19 -60.73 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.714 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.7 mmt -45.81 -38.91 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.882 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -63.35 -41.41 98.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.757 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.07 -35.45 75.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.353 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 37' ' ' VAL . 16.3 mt -67.96 -26.1 65.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.904 -178.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -45.01 -22.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 1.0 110.744 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.438 HG13 ' O ' ' B' ' 37' ' ' VAL . 6.4 p -171.29 74.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 1.0 110.307 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.7 p -173.27 -170.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.535 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -178.31 128.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.256 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.36 -179.77 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 1.0 110.827 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.8 p -69.9 174.71 4.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.86 -17.95 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.97 -68.07 0.86 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' B' ' 46' ' ' SER . 69.0 m-70 -44.19 -48.1 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 1.0 111.046 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 tt -44.19 -21.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.846 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.433 ' N ' ' O ' ' B' ' 44' ' ' HIS . 55.4 p -93.86 -41.26 9.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.932 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -60.62 -51.87 67.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.033 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -54.45 -44.97 72.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.119 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 25.8 mt -77.61 14.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.973 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 59.92 12.72 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 1.0 110.698 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.579 HD23 ' N ' ' B' ' 52' ' ' SER . 1.3 tt -83.58 139.55 32.79 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.579 ' N ' HD23 ' B' ' 51' ' ' LEU . 57.7 p -76.05 127.19 32.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.426 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 1.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.654 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.504 ' H ' ' C ' ' B' ' 52' ' ' SER . 48.5 m -71.93 -31.92 66.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.728 0.299 . . . . 1.0 110.845 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.533 HD22 HD21 ' B' ' 51' ' ' LEU . 59.1 m-20 -87.53 -45.27 10.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.24 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.43 -2.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.803 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.465 ' H ' ' C ' ' B' ' 55' ' ' ASN . 21.6 t -84.65 -64.95 1.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.055 0.455 . . . . 1.0 110.158 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.26 -5.56 52.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.978 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -59.87 -76.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 1.0 110.675 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' B' ' 80' ' ' TYR . 12.5 mt -62.42 -30.51 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.862 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -49.74 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 1.0 110.768 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.3 tp -53.99 -62.18 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.719 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.485 HD12 ' N ' ' B' ' 63' ' ' LEU . 8.2 mp -46.82 -59.05 3.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.231 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -53.48 -16.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.903 -0.319 . . . . 1.0 110.997 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -84.77 -5.99 59.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.268 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 m -133.42 27.73 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.479 0.18 . . . . 1.0 110.965 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 40.3 m80 57.11 22.12 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.887 0.699 . . . . 1.0 112.887 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -76.48 -15.23 59.95 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.424 -0.51 . . . . 1.0 110.215 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.1 m -154.88 149.72 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.457 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.481 ' CG ' ' N ' ' B' ' 71' ' ' ALA . 32.4 ttpt -106.99 164.79 11.85 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.006 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' B' ' 70' ' ' LYS . . . -153.78 118.29 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 1.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -80.63 137.83 36.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.021 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -139.4 87.22 2.17 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.212 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' B' ' 76' ' ' GLN . 9.1 tp-100 -79.84 131.16 35.82 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.782 -0.822 . . . . 1.0 108.782 174.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.31 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.169 -1.172 . . . . 1.0 110.169 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' B' ' 74' ' ' GLN . 2.5 pt20 -139.33 92.31 2.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.881 0.372 . . . . 1.0 110.199 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.5 m -165.17 113.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.37 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.1 mtp -82.98 90.71 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.994 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 mm -108.85 90.16 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.207 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.468 ' CD2' HD13 ' B' ' 60' ' ' LEU . 65.8 m-85 -71.13 137.82 49.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 1.0 110.659 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 70' ' ' LYS . 7.6 t -159.47 147.96 17.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.745 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.08 -146.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -172.4 -56.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.483 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 84' ' ' ASP . 38.7 p-10 -70.75 97.7 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.324 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.466 ' C ' ' N ' ' B' ' 87' ' ' VAL . 14.5 tt -68.64 -41.04 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.284 -177.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.462 ' N ' HG23 ' B' ' 85' ' ' ILE . 28.2 p80 -46.82 -15.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 1.0 110.653 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.466 ' N ' ' C ' ' B' ' 85' ' ' ILE . 91.3 t -85.6 -35.85 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.631 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 85' ' ' ILE . . . -64.39 -43.3 94.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.845 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.503 HG23 ' N ' ' B' ' 90' ' ' MET . 9.4 t -70.33 -42.12 72.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.57 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . 0.503 ' N ' HG23 ' B' ' 89' ' ' THR . 13.9 tpt -55.32 -27.19 45.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.607 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -68.54 -61.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.238 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -53.33 -37.05 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.548 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.533 ' NE2' ' NE2' ' B' ' 97' ' ' HIS . 9.2 tm0? -55.12 -32.88 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.259 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.37 -43.03 61.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.503 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.2 mm -72.18 -4.88 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.568 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -82.58 -57.91 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.588 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.533 ' NE2' ' NE2' ' B' ' 93' ' ' GLN . 14.1 m170 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.531 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 11' ' ' ASP . 36.2 t0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.898 0.38 . . . . 1.0 110.505 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.3 m -60.19 -47.22 86.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.32 -37.95 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.279 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -51.26 -44.4 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.478 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -61.17 -40.14 92.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.614 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.87 -22.21 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.607 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.3 m -78.83 -25.07 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.311 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -72.81 -27.9 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.814 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.64 -47.99 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.004 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -79.56 -39.96 30.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.15 -178.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -59.95 -22.37 62.39 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.369 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.26 99.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.395 179.148 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.5 mm? -52.14 146.64 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.843 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.27 -157.32 7.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 -179.651 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -46.08 157.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 1.0 110.776 -179.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -62.96 -10.87 15.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.729 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' OD1' ' NE2' ' A' ' 59' ' ' GLN . 46.0 t-20 -56.63 -38.37 72.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.549 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.1 mmt-85 -65.68 -58.59 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.95 -52.24 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.488 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -43.49 -67.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.991 -179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.51 -51.91 63.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.686 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 32' ' ' MET . 13.0 tmm? -45.2 -32.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.782 -179.491 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.36 -44.98 49.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.854 -179.3 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -57.6 -35.83 70.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.077 0.465 . . . . 1.0 110.171 -179.296 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -66.33 -61.43 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.232 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -38.99 -23.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.56 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 35' ' ' LEU . 94.9 t -82.39 -38.35 15.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.834 -179.626 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' LEU . 14.0 t -177.11 160.05 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.624 -179.565 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 20.1 mp0 -82.0 155.01 25.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.505 179.648 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.01 173.05 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.466 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.2 m -72.24 169.44 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.443 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.519 HG23 ' N ' ' A' ' 43' ' ' GLY . 18.2 m -73.06 -42.95 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.194 -178.214 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.519 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -80.68 -59.55 2.47 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.418 -0.673 . . . . 1.0 111.418 -178.367 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -42.06 -58.83 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 1.0 111.14 -178.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 41' ' ' SER . 13.4 tt -50.07 -32.53 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.802 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m -80.59 -45.89 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.542 -177.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -64.88 -54.36 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.45 -177.181 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -59.42 -40.22 86.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.688 -178.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.2 tp -74.13 -4.33 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.129 -179.214 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 67.77 80.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.245 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.8 tp -159.62 151.56 20.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.191 -178.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.9 t -75.6 111.37 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.425 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -64.56 -3.72 3.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.763 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.8 p -83.99 -25.31 30.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.52 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -89.93 -43.77 10.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.178 -178.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 57' ' ' SER . 32.9 m -44.53 -52.0 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 121.073 -0.251 . . . . 1.0 111.05 -177.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.598 ' N ' HG23 ' A' ' 56' ' ' VAL . 48.0 p -41.99 -38.6 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 1.0 111.076 -179.108 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -78.15 -29.74 48.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.55 179.184 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 56' ' ' VAL . 32.7 mt-30 -65.76 -56.08 13.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.927 -179.096 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -53.13 -43.37 66.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 1.0 110.639 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -42.56 -57.75 2.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.874 -179.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 tp -50.34 -68.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.408 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 63' ' ' LEU . 4.0 mm? -43.54 -55.39 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.742 -179.11 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -46.84 -69.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.892 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.514 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 8.2 t -47.72 -50.22 25.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.538 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.452 ' O ' HG12 ' A' ' 66' ' ' VAL . 89.4 t -52.75 -9.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.928 -177.603 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' A' ' 65' ' ' SER . 14.1 m-70 76.06 17.16 2.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.481 -0.327 . . . . 1.0 111.644 177.532 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.55 -82.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 178.036 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.6 m -68.29 145.4 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.975 -178.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -101.72 106.5 17.53 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.154 178.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.75 133.7 34.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.716 -179.14 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -114.86 140.02 49.3 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.191 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -139.72 112.74 8.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.335 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -160.06 81.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.69 -65.26 0.38 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.357 -1.097 . . . . 1.0 110.357 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -164.07 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.034 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.9 m -68.95 -167.43 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.124 177.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.424 ' SD ' ' OH ' ' A' ' 80' ' ' TYR . 0.5 OUTLIER -142.37 105.48 4.59 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.686 -0.487 . . . . 1.0 109.686 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 mt -84.22 109.65 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.915 -177.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.424 ' OH ' ' SD ' ' A' ' 78' ' ' MET . 50.7 m-85 -75.92 142.96 41.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.495 179.279 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 m -153.67 140.68 19.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.642 -179.216 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 82' ' ' LEU . 2.9 mm? -76.92 -178.25 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.14 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -160.62 -32.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.501 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -79.75 91.26 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.523 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.63 -37.27 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.721 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -51.48 -64.36 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.623 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.8 t -46.07 -48.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.885 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.61 -51.23 38.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 1.0 110.807 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.7 m -68.05 -42.72 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.363 -178.041 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.3 mmt -41.41 -40.57 1.78 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.566 -0.288 . . . . 1.0 111.531 -177.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 91' ' ' LEU . 10.5 mp -78.74 -38.63 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 1.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -52.67 -71.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.098 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -59.08 -30.21 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.353 -177.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.05 -47.19 53.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.957 -0.297 . . . . 1.0 111.11 -178.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 95' ' ' ILE . 95.5 mt -74.42 -11.7 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.894 -178.615 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -82.77 -36.78 25.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.757 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.6 t60 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.839 -179.501 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.803 0.335 . . . . 1.0 110.438 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -73.04 -50.92 20.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.713 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tp -44.83 -52.03 8.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 1.0 110.614 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -47.39 -42.74 22.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.792 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -64.67 -32.92 74.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.838 -179.075 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 19.9 t -61.07 -22.99 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 1.0 110.474 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.1 p -79.84 -30.91 40.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.211 178.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.2 -30.73 70.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.387 179.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 59.8 mt -71.57 -49.61 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.65 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -72.07 -39.39 69.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.724 -178.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -66.7 -7.5 21.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.515 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -70.61 -49.43 47.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.493 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.561 HD12 ' N ' ' B' ' 23' ' ' LEU . 9.5 mp -56.89 161.04 3.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.093 179.406 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.79 -155.62 7.45 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.087 -0.805 . . . . 1.0 111.087 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -50.13 165.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 1.0 110.859 -179.015 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -50.82 -46.58 59.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.666 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.4 -29.38 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.671 -179.448 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.515 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 5.1 tpp85 -61.02 -56.33 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.774 -179.165 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 16.8 tt -77.83 -35.72 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.822 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -41.66 -42.92 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.242 -179.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mm -58.68 -50.49 78.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.557 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.495 ' SD ' ' OG ' ' B' ' 36' ' ' SER . 12.0 tmm? -49.2 -41.35 36.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.923 -179.047 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.04 -43.22 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.824 -179.177 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.683 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.7 tm? -73.95 -41.14 62.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.227 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.502 ' O ' HD23 ' B' ' 35' ' ' LEU . 0.9 OUTLIER -61.22 -45.66 93.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.194 0.521 . . . . 1.0 109.82 178.203 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.495 ' OG ' ' SD ' ' B' ' 32' ' ' MET . 74.9 m -46.08 -23.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.556 178.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 38' ' ' SER . 41.8 t -108.66 88.58 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.466 179.472 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.428 ' O ' ' O ' ' B' ' 37' ' ' VAL . 20.9 t 57.31 154.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.125 178.572 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 39' ' ' GLU . 5.3 mp0 -93.35 170.58 9.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.616 179.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.75 -177.37 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.331 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -60.0 161.6 6.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 1.0 109.87 177.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 t -77.66 -31.23 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.801 -0.359 . . . . 1.0 110.955 -178.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.66 -53.24 3.1 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.434 -0.667 . . . . 1.0 111.434 -178.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -40.19 -53.72 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.734 0.302 . . . . 1.0 111.478 -178.039 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 67.2 mt -51.52 -29.55 9.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.902 -178.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -69.98 -71.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.922 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.472 ' NE2' ' CD ' ' B' ' 53' ' ' GLN . 53.0 m80 -52.49 -49.98 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.137 -178.343 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -47.75 -58.24 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.091 -178.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.553 ' N ' HD12 ' B' ' 49' ' ' LEU . 10.3 mp -79.61 13.15 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.236 -177.318 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 60.92 67.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.988 -0.285 . . . . 1.0 111.415 177.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.468 ' O ' ' NE2' ' B' ' 53' ' ' GLN . 27.8 mt -134.52 149.08 50.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.011 177.625 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -79.53 120.83 24.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.554 179.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.572 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 20.9 mp0 -63.5 -2.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.05 -178.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 27.8 t -83.93 -20.44 32.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.956 -179.066 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -104.47 -31.66 9.37 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.407 -177.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.643 HG13 ' N ' ' B' ' 57' ' ' SER . 14.6 p -48.13 -56.25 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.694 -0.402 . . . . 1.0 110.971 -176.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.643 ' N ' HG13 ' B' ' 56' ' ' VAL . 75.8 p -39.68 -57.7 1.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.718 0.294 . . . . 1.0 111.536 -178.05 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -58.94 -27.88 65.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.823 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.4 OUTLIER -62.71 -67.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.741 -178.254 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.25 -41.91 80.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.037 -178.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -42.95 -55.77 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.103 -178.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.473 ' C ' HD23 ' B' ' 62' ' ' LEU . 3.2 tt -54.01 -64.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.409 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.537 HD12 ' N ' ' B' ' 63' ' ' LEU . 9.8 mp -47.04 -57.42 5.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.767 -179.152 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -55.28 -27.36 46.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.323 -177.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.43 ' C ' ' H ' ' B' ' 67' ' ' HIS . 27.1 p -76.66 -46.88 24.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.821 0.304 . . . . 1.0 111.821 -176.773 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.7 13.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.788 -0.365 . . . . 1.0 111.839 -175.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' B' ' 65' ' ' SER . 7.9 t-80 68.05 16.61 9.51 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.932 0.345 . . . . 1.0 111.932 176.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.481 ' C ' HD23 ' B' ' 68' ' ' LEU . 2.3 tt -83.33 -73.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 177.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.09 138.8 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 1.0 111.305 -178.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -109.35 162.92 13.88 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.939 -0.573 . . . . 1.0 109.734 178.101 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -158.38 137.05 11.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.926 0.393 . . . . 1.0 111.116 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -85.74 135.47 33.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.256 178.389 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -81.11 140.34 35.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.255 -178.638 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.508 ' C ' ' H ' ' B' ' 76' ' ' GLN . 82.4 mm-40 -136.68 158.79 43.63 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.076 179.377 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.54 0.29 Allowed Glycine 0 CA--C 1.527 0.783 0 C-N-CA 121.356 -0.449 . . . . 1.0 112.04 -177.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' B' ' 74' ' ' GLN . 1.0 OUTLIER -170.47 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.048 0.424 . . . . 1.0 110.999 179.264 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.7 t -85.9 -167.27 1.79 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 1.0 110.827 -178.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 51.5 mtt -150.09 107.94 3.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.818 179.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.675 HD12 ' N ' ' B' ' 79' ' ' ILE . 1.5 mp -82.6 97.29 4.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.478 -177.109 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -70.77 139.14 50.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.375 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.8 t -152.69 145.89 24.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.82 -178.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.541 ' H ' HD23 ' B' ' 82' ' ' LEU . 0.2 OUTLIER -90.38 118.95 30.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.936 179.62 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -78.87 -57.3 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.589 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.23 93.86 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.586 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' B' ' 88' ' ' ALA . 16.2 tt -65.8 -15.43 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.596 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -58.38 -53.78 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.809 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.4 t -54.1 -37.3 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.661 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 85' ' ' ILE . . . -53.25 -47.84 68.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.669 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 52.1 p -66.49 -42.23 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.846 -179.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.6 tpt -39.92 -41.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.507 -178.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.563 HD22 ' N ' ' B' ' 91' ' ' LEU . 3.1 mm? -76.8 -61.02 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 1.0 110.234 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -39.91 -60.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.513 -178.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -61.88 -28.89 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.341 -0.391 . . . . 1.0 111.291 -178.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.05 -54.58 6.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.276 -177.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.0 pt -72.7 -5.42 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.931 -0.308 . . . . 1.0 111.058 -177.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -89.97 -30.53 17.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 1.0 110.494 179.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.654 -179.618 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 1.144 ' OD1' HG23 ' A' ' 10' ' ' THR . 37.1 p30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.37 -0.604 . . . . 5.13 109.37 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 1.144 HG23 ' OD1' ' A' ' 9' ' ' ASN . 52.3 p -136.33 34.38 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 3.63 110.625 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -80.09 -34.4 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 3.55 110.576 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -46.36 15.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 2.43 110.638 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.666 HD21 HG21 ' B' ' 29' ' ' ILE . 2.9 mt -67.68 -48.75 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 1.94 110.624 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.865 ' HB2' ' O ' ' A' ' 10' ' ' THR . 8.4 tt0 -39.45 -33.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 2.63 110.598 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 1.348 ' NH2' HD21 ' B' ' 99' ' ' ASN . 2.0 mmm-85 -64.96 -63.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 4.35 110.617 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -49.06 -24.81 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 1.67 110.586 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.608 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -74.53 -34.54 63.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.54 110.596 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.62 -39.73 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 2.65 110.595 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.75 -66.78 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.5 110.571 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -53.21 -38.93 63.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.1 110.634 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' A' ' 17' ' ' THR . 17.1 tttm -62.32 -35.92 80.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 2.93 110.619 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.3 -45.14 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.12 110.606 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.7 mt -49.75 158.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 1.88 110.582 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.99 -100.05 0.17 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.877 -0.889 . . . . 1.85 110.877 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.639 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 78.9 m-20 -80.91 153.24 27.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.318 . . . . 2.9 110.622 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.756 ' HD2' ' CG2' ' B' ' 17' ' ' THR . 0.5 OUTLIER -68.04 -51.31 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 4.3 110.602 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' TYR . 84.1 m-20 -37.65 -21.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 2.46 110.619 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 1.026 ' NE ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.44 -63.29 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 4.97 110.62 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mt -44.66 -48.02 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.53 110.604 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -49.13 -66.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 3.43 110.605 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.67 HD12 ' OE1' ' A' ' 59' ' ' GLN . 11.7 mt -47.55 -46.32 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 1.74 110.592 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.69 -40.19 65.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 2.13 110.585 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.21 -56.31 23.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 2.62 110.583 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 34' ' ' LEU . 11.7 tp -64.39 -30.89 71.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 1.69 110.543 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -76.53 -16.92 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 1.82 110.606 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.94 15.32 17.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 1.9 110.63 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.4 t -135.26 -67.44 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 2.56 110.606 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.55 152.68 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 2.94 110.578 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.5 127.91 55.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 2.97 110.607 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -134.64 -175.17 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.91 110.617 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.589 ' OG ' ' N ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -70.19 -177.92 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 1.54 110.604 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.589 ' N ' ' OG ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -75.76 -44.2 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.8 110.632 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.78 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -74.23 -72.97 0.96 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.892 -0.883 . . . . 0.86 110.892 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.604 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER -21.77 -54.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 2.78 110.603 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.815 ' O ' ' HB2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -57.42 -42.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.67 110.616 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.78 ' N ' ' O ' ' A' ' 43' ' ' GLY . 1.8 t -71.02 -44.59 65.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 1.94 110.629 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -62.69 -71.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 3.21 110.622 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.423 ' C ' ' H ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -50.12 -43.64 51.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 2.52 110.555 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.815 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -78.52 32.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 2.06 110.582 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.551 ' C ' ' O ' ' A' ' 49' ' ' LEU . 1.2 m-20 26.13 77.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 2.62 110.592 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.554 ' O ' ' OG ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -154.1 141.28 19.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 1.67 110.618 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 54' ' ' SER . 68.1 m -73.68 104.8 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.61 110.631 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 1.071 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 4.7 pt20 -44.35 -21.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 2.78 110.589 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -54.34 -38.41 66.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 2.01 110.62 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.514 ' O ' ' N ' ' A' ' 59' ' ' GLN . 31.9 m-20 -80.88 -47.13 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 2.57 110.561 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.071 ' CG2' ' HA ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -39.1 -81.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.39 110.625 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' VAL . 0.6 OUTLIER -36.04 -36.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.53 110.627 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 56' ' ' VAL . 3.0 t-80 -77.41 -32.91 55.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 3.24 110.593 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.67 ' OE1' HD12 ' A' ' 31' ' ' ILE . 5.7 tt0 -64.78 -75.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 2.16 110.63 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.634 HD13 ' CE2' ' A' ' 80' ' ' TYR . 5.3 mt -34.41 -47.62 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.82 110.618 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 60' ' ' LEU . 21.2 tttm -36.21 -62.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 2.3 110.578 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.555 ' O ' ' C ' ' A' ' 63' ' ' LEU . 55.9 tp -52.7 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 1.44 110.615 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.026 HD11 ' NE ' ' A' ' 28' ' ' ARG . 10.6 mp -26.87 -60.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 1.74 110.632 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.852 ' HE3' ' HB2' ' A' ' 71' ' ' ALA . 23.9 tttt -41.41 -57.63 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 2.52 110.615 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' LEU . 13.4 t -59.13 -22.66 61.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 1.67 110.614 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.922 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 3.2 t -79.81 -19.92 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 1.29 110.582 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.922 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 0.5 OUTLIER 88.45 3.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 3.38 110.603 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 68' ' ' LEU . 19.1 mt -67.58 -50.48 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.82 110.639 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -108.3 160.83 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 1.43 110.591 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.678 ' HE2' ' CG ' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -129.94 118.29 21.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 2.97 110.59 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.852 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -76.78 160.5 29.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 1.18 110.607 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -141.15 133.23 27.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 3.27 110.605 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.466 ' HD3' HH11 ' A' ' 73' ' ' ARG . 2.1 mtp180 -109.9 132.93 53.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 4.53 110.592 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -164.43 98.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 3.39 110.625 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.39 -80.52 0.53 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.893 -0.883 . . . . 3.14 110.893 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.49 ' HB3' ' H ' ' A' ' 77' ' ' SER . 1.2 tt0 -140.23 -93.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 5.15 110.639 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.49 ' H ' ' HB3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -54.62 157.14 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 2.59 110.606 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.472 ' H ' ' HG3' ' A' ' 78' ' ' MET . 0.0 OUTLIER -105.7 120.24 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 2.62 110.628 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.6 mt -94.71 117.45 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 1.34 110.571 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.644 ' H ' ' HD1' ' A' ' 80' ' ' TYR . 2.4 m-85 -74.01 164.39 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 3.15 110.629 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.62 142.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 1.64 110.566 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.63 HD23 HG12 ' A' ' 69' ' ' VAL . 24.0 mt -71.38 168.63 17.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.94 110.65 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.678 ' CG ' ' HE2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -129.6 -35.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 2.6 110.568 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.718 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -95.44 89.62 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 2.23 110.597 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 6.5 pt -52.92 -13.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 2.62 110.6 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.06 -59.62 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 3.37 110.623 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.418 ' H ' HG23 ' A' ' 87' ' ' VAL . 19.1 t -49.8 -45.49 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 1.6 110.549 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.13 -49.19 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.98 110.619 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -42.36 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.79 110.551 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.18 -50.43 64.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 2.76 110.59 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.23 -47.64 82.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 1.74 110.622 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 1.7 tttt -52.85 -39.55 62.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 3.0 110.612 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -65.92 -43.06 89.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 3.01 110.592 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.78 -48.66 79.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 1.02 110.577 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -73.19 -29.52 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 1.78 110.623 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.577 ' HB2' ' O ' ' A' ' 92' ' ' LYS . 0.7 OUTLIER -71.02 -28.13 64.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 2.88 110.605 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.758 ' C ' ' H ' ' A' ' 99' ' ' ASN . 2.4 t60 -88.64 -27.23 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 3.14 110.58 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.01 26.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 2.77 110.594 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 1.35 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 0.1 OUTLIER -100.28 129.05 46.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 5.26 110.596 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.933 ' O ' ' N ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -79.51 87.55 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 5.87 110.649 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 1.35 ' HD3' ' O ' ' A' ' 99' ' ' ASN . 69.8 Cg_exo -47.08 44.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.781 2.321 . . . . 5.74 112.285 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 1.172 ' HG3' ' N ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER 78.25 -171.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 8.99 110.61 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 1.172 ' N ' ' HG3' ' A' ' 102' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.032 -0.985 . . . . 9.79 110.627 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 1.254 ' O ' HG22 ' B' ' 10' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.374 -0.602 . . . . 5.26 109.374 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 1.254 HG22 ' O ' ' B' ' 9' ' ' ASN . 0.8 OUTLIER 175.2 -157.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 3.31 110.598 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.755 ' OD1' ' N ' ' B' ' 11' ' ' ASP . 0.0 OUTLIER -102.69 -21.48 14.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 2.75 110.59 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.501 ' O ' ' HB2' ' B' ' 15' ' ' ARG . 0.6 OUTLIER -59.42 -67.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 2.15 110.605 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.38 -48.2 74.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 1.65 110.635 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -45.04 -37.66 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 2.58 110.642 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' B' ' 12' ' ' THR . 2.1 mtm-85 -61.8 -60.62 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 3.9 110.578 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.449 HG23 ' H ' ' B' ' 16' ' ' VAL . 0.2 OUTLIER -50.17 -15.56 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 1.58 110.626 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.756 ' CG2' ' HD2' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -85.5 -21.31 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 1.61 110.618 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.59 -42.02 44.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 2.48 110.607 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.23 -63.57 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 1.7 110.57 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.461 ' HA ' HD12 ' B' ' 23' ' ' LEU . 61.5 m-85 -55.92 -39.29 71.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.602 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' B' ' 17' ' ' THR . 23.6 tttm -59.89 -39.59 85.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 3.27 110.613 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.402 ' CB ' HG11 ' B' ' 66' ' ' VAL . . . -51.26 -41.52 60.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.613 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.638 ' HA ' ' NH1' ' B' ' 28' ' ' ARG . 13.8 mt -53.9 150.68 7.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 1.82 110.608 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.26 -104.2 0.27 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.911 -0.876 . . . . 1.92 110.911 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.714 ' OD1' ' N ' ' B' ' 25' ' ' ASP . 0.1 OUTLIER -74.09 144.56 44.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 2.75 110.57 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 1.122 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER -66.01 -50.19 65.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 4.19 110.639 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' B' ' 30' ' ' ARG . 6.7 m-20 -38.78 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 2.91 110.613 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.638 ' NH1' ' HA ' ' B' ' 23' ' ' LEU . 22.2 ttm180 -50.47 -50.88 51.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 5.03 110.595 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.666 HG21 HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -51.5 -40.68 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 1.54 110.628 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 0.5 OUTLIER -51.37 -60.9 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 3.19 110.59 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.514 HD11 ' NE2' ' B' ' 59' ' ' GLN . 0.8 OUTLIER -52.53 -44.88 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 1.61 110.577 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -53.18 -44.67 68.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 2.31 110.597 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.94 -55.39 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 2.33 110.607 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' B' ' 38' ' ' SER . 16.7 tp -60.06 -34.83 73.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 1.6 110.605 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' B' ' 35' ' ' LEU . 0.1 OUTLIER -67.03 -38.58 86.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 1.66 110.638 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.84 -31.05 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 1.87 110.618 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.927 HG13 ' O ' ' B' ' 37' ' ' VAL . 1.9 p -146.52 95.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 2.25 110.637 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.692 ' CB ' ' O ' ' B' ' 37' ' ' VAL . 5.9 t 144.84 178.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 2.63 110.581 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.496 ' N ' ' OG ' ' B' ' 38' ' ' SER . 9.6 pt-20 -170.63 119.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 2.51 110.6 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.04 -172.31 3.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.83 110.562 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.539 ' OG ' ' N ' ' B' ' 42' ' ' VAL . 5.6 t -73.94 -178.51 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 1.46 110.569 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.628 ' O ' HG22 ' B' ' 45' ' ' ILE . 3.6 t -75.82 -47.88 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 1.75 110.619 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.609 ' C ' ' HG ' ' B' ' 46' ' ' SER . . . -75.7 -58.91 3.65 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.866 -0.893 . . . . 0.86 110.866 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.505 ' C ' ' O ' ' B' ' 43' ' ' GLY . 0.3 OUTLIER -31.82 -61.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 2.82 110.586 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.628 HG22 ' O ' ' B' ' 42' ' ' VAL . 17.0 tt -46.97 -40.79 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 1.71 110.608 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.609 ' HG ' ' C ' ' B' ' 43' ' ' GLY . 0.0 OUTLIER -68.94 -69.85 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 1.44 110.579 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' B' ' 46' ' ' SER . 0.0 OUTLIER -35.73 -66.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 3.08 110.587 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.767 ' C ' ' H ' ' B' ' 50' ' ' ASN . 6.8 mt-30 -45.34 -68.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 2.6 110.585 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' B' ' 51' ' ' LEU . 75.1 mt -56.81 18.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 2.02 110.559 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.767 ' H ' ' C ' ' B' ' 48' ' ' GLN . 58.1 m-20 42.84 62.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 2.33 110.636 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 49' ' ' LEU . 72.0 mt -128.28 146.93 50.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 1.45 110.627 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.519 ' OG ' ' HB2' ' B' ' 54' ' ' SER . 3.5 t -81.48 109.33 15.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.57 110.566 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -46.08 -20.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 2.64 110.607 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.519 ' HB2' ' OG ' ' B' ' 52' ' ' SER . 0.2 OUTLIER -56.93 -39.69 74.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 1.92 110.622 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.535 ' O ' ' C ' ' B' ' 56' ' ' VAL . 53.1 m-20 -86.5 -56.32 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 2.38 110.602 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 1.04 HG12 ' N ' ' B' ' 57' ' ' SER . 1.0 OUTLIER -28.49 -78.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.7 110.616 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 1.04 ' N ' HG12 ' B' ' 56' ' ' VAL . 0.2 OUTLIER -33.5 -47.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 1.92 110.621 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.591 ' O ' ' HB2' ' B' ' 61' ' ' LYS . 0.1 OUTLIER -61.74 -50.39 72.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 3.17 110.56 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.612 ' O ' ' C ' ' B' ' 60' ' ' LEU . 1.0 OUTLIER -48.07 -84.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 2.29 110.647 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.93 HD13 ' CE2' ' B' ' 80' ' ' TYR . 9.9 mt -20.47 -55.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.89 110.62 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.591 ' HB2' ' O ' ' B' ' 58' ' ' HIS . 3.2 mttm -35.37 -78.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 2.94 110.573 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.685 ' O ' ' N ' ' B' ' 65' ' ' SER . 1.2 tp -35.32 -84.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 1.5 110.611 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.82 HD12 ' H ' ' B' ' 63' ' ' LEU . 6.6 mp -27.87 -58.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.71 110.634 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -49.94 -40.03 42.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 2.46 110.583 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.685 ' N ' ' O ' ' B' ' 62' ' ' LEU . 0.0 OUTLIER -77.13 -7.42 55.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 1.74 110.591 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.739 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 3.1 t -95.55 -12.08 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 1.27 110.652 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.739 ' HB2' ' O ' ' B' ' 66' ' ' VAL . 0.0 OUTLIER 84.79 6.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 3.2 110.623 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' B' ' 68' ' ' LEU . 88.8 mt -76.57 -53.77 7.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 1.56 110.607 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.807 ' CG2' ' HB3' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -101.45 163.82 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 1.47 110.596 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.402 ' HD3' ' OD2' ' B' ' 83' ' ' ASP . 19.4 tttt -136.25 135.76 39.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 2.65 110.63 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -101.54 157.82 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 1.36 110.611 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 17.1 ttmt -142.91 132.48 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 3.41 110.584 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -95.29 142.26 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 4.74 110.616 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -156.57 91.29 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 4.12 110.581 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.95 -68.99 2.46 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.883 -0.887 . . . . 3.22 110.883 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -149.67 -82.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.329 . . . . 5.09 110.636 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.44 152.8 2.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 2.55 110.592 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.65 129.48 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 2.99 110.581 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 8.5 mt -109.45 117.78 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 1.59 110.649 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.93 ' CE2' HD13 ' B' ' 60' ' ' LEU . 2.0 m-85 -70.67 -174.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 3.81 110.604 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.611 ' CB ' ' O ' ' B' ' 80' ' ' TYR . 0.6 OUTLIER 153.39 144.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 1.47 110.549 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.879 HD23 ' N ' ' B' ' 82' ' ' LEU . 1.0 OUTLIER -78.14 155.97 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 2.19 110.608 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.402 ' OD2' ' HD3' ' B' ' 70' ' ' LYS . 0.2 OUTLIER -122.23 -14.98 7.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 2.66 110.584 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -112.32 90.33 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 3.05 110.641 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 4.3 pt -54.46 -18.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 2.83 110.621 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -49.45 -59.71 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 3.24 110.599 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 94.2 t -55.92 -40.05 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 1.58 110.578 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.24 -53.11 58.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.17 110.543 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 28.5 p -68.52 -41.01 80.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 2.04 110.611 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 6.9 ttt -54.16 -44.39 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 2.71 110.543 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.58 -42.66 98.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 1.86 110.55 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -60.35 -42.67 96.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 3.09 110.6 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -61.17 -39.31 89.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 2.7 110.636 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.29 88.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.21 110.597 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 78.9 mt -76.71 -33.04 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 1.9 110.564 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -62.3 -31.57 72.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 3.05 110.613 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.585 ' O ' ' C ' ' B' ' 98' ' ' ALA . 0.3 OUTLIER -93.42 -12.4 29.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 3.69 110.586 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.585 ' C ' ' O ' ' B' ' 97' ' ' HIS . . . -23.19 -56.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 3.16 110.637 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 1.348 HD21 ' NH2' ' A' ' 15' ' ' ARG . 1.5 m120 -116.21 110.59 19.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 6.33 110.627 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 1.039 ' O ' ' O ' ' B' ' 99' ' ' ASN . 20.8 p80 -32.06 -165.94 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 6.96 110.576 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 1.004 ' HD2' ' HB2' ' B' ' 100' ' ' HIS . 56.9 Cg_endo -74.13 -84.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.826 2.35 . . . . 5.92 112.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.969 ' HG2' ' O ' ' B' ' 101' ' ' PRO . 0.0 OUTLIER -158.63 -34.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 9.86 110.591 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.015 -0.993 . . . . 8.91 110.628 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.7 m -146.47 -28.96 0.4 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.487 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -66.79 -38.52 86.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.412 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 13' ' ' LEU . 11.3 t -73.65 -43.57 59.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.535 ' N ' HG23 ' A' ' 12' ' ' THR . 0.2 OUTLIER -48.71 -51.05 30.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -47.87 -43.06 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.507 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -56.39 -41.61 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.441 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 t -65.63 -23.47 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.377 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.0 m -84.2 -14.32 50.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.203 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -77.85 -39.66 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.59 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.0 pt -63.8 -38.14 81.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.534 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -74.57 -42.26 59.07 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.21 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.514 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 2.5 ttmp? -62.35 -33.99 75.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.664 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.88 -44.19 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.6 mt -45.67 145.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.73 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.97 160.97 34.71 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 59.51 165.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 1.0 110.73 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' C ' ' H ' ' A' ' 28' ' ' ARG . 19.4 m-85 -100.3 -47.14 5.04 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.284 178.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.547 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.5 m120 -62.83 3.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.626 -0.715 . . . . 1.0 111.29 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 26' ' ' TYR . 62.9 ttt-85 -70.67 -18.54 62.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.795 0.331 . . . . 1.0 110.536 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.4 mt -83.15 -67.36 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.033 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -52.1 -46.19 65.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 1.0 111.36 -177.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.515 HG23 ' N ' ' A' ' 32' ' ' MET . 7.3 tt -52.53 -45.18 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.748 -0.381 . . . . 1.0 110.518 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.515 ' N ' HG23 ' A' ' 31' ' ' ILE . 20.6 mmt -63.13 -33.93 76.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.513 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -51.34 -68.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.813 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.6 tp -60.18 -35.13 74.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.992 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -67.17 -35.7 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.093 0.473 . . . . 1.0 109.769 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.6 t -55.58 -18.6 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.625 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.99 71.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.143 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.0 t -173.44 162.58 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.994 0.426 . . . . 1.0 110.983 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.516 ' N ' ' OE1' ' A' ' 39' ' ' GLU . 18.0 mp0 -143.84 114.3 7.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.737 -0.665 . . . . 1.0 109.682 178.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.6 -177.52 6.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.925 0.393 . . . . 1.0 110.886 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.0 t -75.38 -179.28 4.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.454 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.0 m -83.68 -35.13 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.767 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.3 -40.11 8.07 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.107 -0.797 . . . . 1.0 111.107 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -49.9 -46.9 52.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.653 0.263 . . . . 1.0 111.089 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.6 pt -69.08 -25.78 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.98 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.6 t -67.78 -76.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.328 . . . . 1.0 110.919 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -49.23 -47.2 46.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.172 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -49.08 -55.8 11.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.13 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.78 13.45 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.203 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 60.98 62.72 1.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.78 0.324 . . . . 1.0 110.817 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.5 mt -134.2 147.72 50.78 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.081 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 54' ' ' SER . 48.9 m -77.94 107.56 10.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.188 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -61.75 -2.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.05 -178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 52' ' ' SER . 52.1 m -80.56 -16.76 53.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.783 -179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 56' ' ' VAL . 18.9 p30 -105.06 -31.96 8.94 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.487 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.645 HG23 ' N ' ' A' ' 57' ' ' SER . 19.9 m -56.75 -58.87 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.405 -0.518 . . . . 1.0 110.972 -176.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.645 ' N ' HG23 ' A' ' 56' ' ' VAL . 58.3 m -42.95 -42.27 3.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.803 0.335 . . . . 1.0 111.111 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.77 -26.77 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.449 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' VAL . 22.6 tt0 -68.28 -50.96 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.816 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.8 -42.14 83.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.824 0.345 . . . . 1.0 110.596 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 61' ' ' LYS . 10.6 ttmm -45.2 -54.74 6.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.892 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.8 tp -52.17 -72.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.305 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.0 mp -41.99 -56.15 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.873 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.606 ' HZ1' ' H ' ' A' ' 71' ' ' ALA . 41.1 tptt -45.09 -30.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.845 -179.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.7 m -80.97 -32.2 34.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.226 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.83 0.84 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.033 -0.267 . . . . 1.0 110.951 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.4 t60 65.43 16.1 10.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.711 -0.222 . . . . 1.0 111.573 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.8 mt -92.77 -6.02 49.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.714 0.292 . . . . 1.0 110.4 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.6 t -149.89 142.18 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.634 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 81' ' ' SER . 32.2 ttpt -133.63 166.54 22.36 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.884 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.606 ' H ' ' HZ1' ' A' ' 64' ' ' LYS . . . -143.29 131.79 22.31 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.893 0.378 . . . . 1.0 110.577 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -82.12 142.28 32.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.708 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -100.58 103.66 14.97 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.218 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -109.41 103.03 11.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.141 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -129.69 39.1 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.17 -39.37 15.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.85 0.357 . . . . 1.0 110.38 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 78' ' ' MET . 42.9 t -69.41 -167.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.993 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.476 ' N ' ' OG ' ' A' ' 77' ' ' SER . 20.5 ptt? -165.38 154.43 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.472 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.7 mt -145.93 116.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.292 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -77.16 155.39 32.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.756 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 70' ' ' LYS . 78.4 p -170.23 156.66 5.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.617 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.418 ' O ' ' OD1' ' A' ' 83' ' ' ASP . 2.5 tp -74.28 -157.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 82' ' ' LEU . 5.1 m-20 -160.67 -66.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 1.0 110.559 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 7.2 p-10 -69.61 99.2 1.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.732 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.1 tt -61.59 -9.48 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.426 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -59.23 -55.06 39.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 1.0 111.264 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 88' ' ' ALA . 7.9 p -67.52 -44.95 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.153 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.535 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -41.88 -61.64 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.758 0.313 . . . . 1.0 111.243 -178.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.464 HG23 ' N ' ' A' ' 90' ' ' MET . 5.7 t -64.14 -41.71 97.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.64 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.464 ' N ' HG23 ' A' ' 89' ' ' THR . 24.1 ttt -45.04 -32.36 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.815 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.495 ' C ' HD23 ' A' ' 91' ' ' LEU . 3.7 tt -72.4 -61.05 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.373 -0.376 . . . . 1.0 109.999 179.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp -53.95 -31.9 52.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.546 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.04 -28.68 69.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.276 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -33.58 70.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.27 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 95' ' ' ILE . 96.1 mt -89.29 -8.52 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.427 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -82.54 -39.4 22.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.75 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -51.74 -47.34 64.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.712 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.487 ' C ' ' H ' ' A' ' 100' ' ' HIS . . . -51.04 -91.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.664 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 8.1 t-20 65.62 -4.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.598 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 36.0 p-80 40.61 76.27 0.52 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.305 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -85.44 -26.14 1.44 Allowed 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.683 2.255 . . . . 1.0 112.357 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -163.2 -36.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.986 -1.007 . . . . 1.0 110.616 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.421 ' O ' ' O ' ' B' ' 10' ' ' THR . 15.8 p30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.421 ' O ' ' O ' ' B' ' 9' ' ' ASN . 44.1 p 45.02 -172.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.838 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 4.0 m-20 -85.05 -16.92 39.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.574 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 56.5 p -63.64 -56.08 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.754 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.35 -35.28 77.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.493 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -55.79 -25.57 41.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.862 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 55.1 ttp85 -66.43 -56.19 12.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.788 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.1 m -66.66 -16.05 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.482 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.3 m -72.6 -33.47 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.215 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.17 -36.73 80.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.488 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.5 mt -54.9 -58.14 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -64.55 -44.16 91.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.785 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -54.0 -23.76 14.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.571 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.31 90.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.596 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 mt -54.64 146.97 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.37 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.33 -75.9 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.95 170.13 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 1.0 110.749 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.402 ' C ' ' H ' ' B' ' 28' ' ' ARG . 27.8 m-85 -99.75 -44.39 6.11 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.044 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -68.3 3.69 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' B' ' 26' ' ' TYR . 66.4 ttp85 -57.9 -45.82 85.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.698 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.503 HG23 ' N ' ' B' ' 30' ' ' ARG . 13.2 tt -68.62 -45.07 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.665 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.503 ' N ' HG23 ' B' ' 29' ' ' ILE . 22.2 mmt85 -43.41 -62.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.056 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.5 pt -61.82 -35.65 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.011 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' B' ' 32' ' ' MET . 1.3 tmt? -59.77 -49.09 79.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.602 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -49.38 -57.31 7.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.763 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 tp -56.49 -34.19 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.992 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.53 ' O ' HD23 ' B' ' 35' ' ' LEU . 0.8 OUTLIER -69.37 -34.67 74.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.99 0.424 . . . . 1.0 110.216 -178.187 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.8 m -46.16 -14.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.941 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' B' ' 35' ' ' LEU . 4.2 p -172.53 84.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.353 0.597 . . . . 1.0 110.511 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 39.1 m -169.83 -172.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.861 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -173.67 111.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.172 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.2 -177.15 5.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.684 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 6.1 t -77.67 -172.72 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.567 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 38.4 t -86.95 -39.72 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.736 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -82.77 -11.15 82.11 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.29 -0.724 . . . . 1.0 111.29 -178.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -73.11 -69.52 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 1.0 110.896 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.6 pt -53.53 -24.71 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.971 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 58.5 p -66.94 -78.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.015 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -53.86 -46.62 71.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.944 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -42.31 -60.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.455 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.06 22.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.486 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 57.4 66.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 1.0 110.84 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.9 mt -133.55 145.11 49.81 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.483 ' C ' ' H ' ' B' ' 54' ' ' SER . 88.7 p -82.61 133.07 35.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.326 . . . . 1.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -67.25 8.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.922 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.483 ' H ' ' C ' ' B' ' 52' ' ' SER . 52.7 p -73.99 -50.34 20.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 1.0 110.541 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' B' ' 57' ' ' SER . 7.1 m120 -73.92 -33.49 63.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.468 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.46 ' O ' HG12 ' B' ' 56' ' ' VAL . 31.9 t -55.1 -2.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.624 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' B' ' 58' ' ' HIS . 32.0 p -89.51 -60.42 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.062 0.458 . . . . 1.0 110.039 176.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.477 ' N ' ' OG ' ' B' ' 57' ' ' SER . 27.5 t-80 -79.08 -10.06 59.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.924 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -61.8 -78.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.42 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.68 -38.46 67.0 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.974 -0.29 . . . . 1.0 110.948 -179.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -45.08 -61.01 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.819 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 17.8 tp -57.13 -66.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.558 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.473 HD12 ' N ' ' B' ' 63' ' ' LEU . 8.8 mp -41.42 -56.95 2.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.928 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -55.22 -24.4 27.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.49 -0.323 . . . . 1.0 111.287 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.489 ' C ' ' H ' ' B' ' 67' ' ' HIS . 6.9 m -81.86 -51.69 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.615 -0.266 . . . . 1.0 111.463 -177.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.452 ' H ' HG22 ' B' ' 66' ' ' VAL . 3.7 m -65.44 10.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.975 -0.29 . . . . 1.0 111.504 -176.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' B' ' 65' ' ' SER . 6.6 t-80 64.81 15.67 9.98 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.044 0.387 . . . . 1.0 112.044 176.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 64.8 mt -91.58 -3.72 56.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.577 0.227 . . . . 1.0 110.601 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.405 HG12 ' N ' ' B' ' 70' ' ' LYS . 83.8 t -154.31 152.69 9.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.877 0.37 . . . . 1.0 110.395 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.405 ' N ' HG12 ' B' ' 69' ' ' VAL . 88.8 mttt -137.61 -176.39 4.39 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.884 178.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -165.64 147.26 7.26 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.595 -0.442 . . . . 1.0 111.433 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -89.14 136.63 32.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.202 178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -135.49 87.15 2.3 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.146 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -160.25 64.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.153 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 151.34 90.45 0.08 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.555 -1.018 . . . . 1.0 110.555 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 42.26 -87.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 1.0 111.761 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.536 ' N ' ' O ' ' B' ' 75' ' ' GLY . 81.0 p -64.76 -167.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.401 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.427 ' C ' HD12 ' B' ' 79' ' ' ILE . 4.9 ttt -148.58 107.29 3.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 1.0 109.606 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.723 HD12 ' N ' ' B' ' 79' ' ' ILE . 1.6 mp -92.62 103.75 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.616 -176.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -63.37 157.86 22.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.382 . . . . 1.0 110.526 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 58.0 m -160.85 -169.43 2.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.516 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.515 HD23 ' N ' ' B' ' 83' ' ' ASP . 1.1 tt -151.43 114.4 4.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.913 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.515 ' N ' HD23 ' B' ' 82' ' ' LEU . 6.7 m-20 -67.45 -59.11 3.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.478 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 84' ' ' ASP . 1.2 m-20 -44.46 139.7 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 1.0 111.008 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -111.25 -21.75 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.448 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -73.15 -35.59 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.535 HG13 ' N ' ' B' ' 88' ' ' ALA . 10.5 p -62.14 -44.62 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.582 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.535 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -56.38 -46.46 80.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.84 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 65.5 p -71.99 -45.69 60.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.512 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.4 ttt -46.49 -31.53 2.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.467 ' C ' HD23 ' B' ' 91' ' ' LEU . 3.3 tt -73.0 -59.73 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.01 -0.367 . . . . 1.0 110.01 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -51.63 -30.17 20.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.443 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.48 -31.63 72.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.359 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.55 -46.11 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.366 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.45 ' O ' HG22 ' B' ' 95' ' ' ILE . 89.0 mt -73.15 -9.77 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.438 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -79.41 -36.46 39.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.59 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -62.1 -49.11 77.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.419 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 55.27 64.77 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.745 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -82.31 118.72 23.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.518 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -170.3 68.15 0.55 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.605 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -45.39 147.65 2.46 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.638 2.225 . . . . 1.0 112.228 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -58.38 166.14 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.649 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.646 -179.868 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.357 -0.609 . . . . 1.0 109.357 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.4 p 57.27 34.45 24.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.792 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.525 ' N ' ' OE1' ' A' ' 14' ' ' GLU . 22.5 p-10 -172.79 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.899 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 p -82.82 -60.58 2.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.984 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 mt -72.16 -26.41 62.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.855 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.525 ' OE1' ' N ' ' A' ' 11' ' ' ASP . 12.4 mp0 -58.53 -14.86 9.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.596 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -79.47 -61.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.497 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.526 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 35.8 m -62.37 -16.33 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.508 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.7 m -72.14 -47.61 49.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.619 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -56.88 -33.83 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.733 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 19' ' ' ILE . 17.7 mt -59.99 -63.52 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.876 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 24.8 m-85 -56.5 -43.02 79.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.012 -178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -54.7 -37.59 65.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.384 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.76 -40.77 73.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.723 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.96 159.83 27.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.942 0.401 . . . . 1.0 110.555 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.622 ' N ' ' NH1' ' A' ' 28' ' ' ARG . . . -173.72 -82.08 0.05 OUTLIER Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' A' ' 27' ' ' ASN . 62.4 t0 -73.24 114.8 11.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.84 0.352 . . . . 1.0 110.424 179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -61.0 0.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.993 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' A' ' 25' ' ' ASP . 14.7 t30 -85.99 -12.23 50.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 1.0 110.598 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.622 ' NH1' ' N ' ' A' ' 24' ' ' GLY . 96.4 mtt180 -65.5 -54.08 33.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.984 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.548 HG23 ' N ' ' A' ' 30' ' ' ARG . 16.9 tt -45.24 -47.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.623 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.548 ' N ' HG23 ' A' ' 29' ' ' ILE . 63.0 ttt180 -42.03 -72.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.323 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 pt -61.03 -38.28 79.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.922 -178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 18.3 ttt -48.52 -45.3 37.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 1.0 110.475 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -60.42 -42.49 96.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.724 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -53.05 -34.81 58.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.973 0.416 . . . . 1.0 110.032 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.68 -37.62 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.418 . . . . 1.0 109.996 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.9 t -74.18 3.01 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.258 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.8 t -134.33 70.49 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.274 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m 63.58 113.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.946 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -66.93 170.84 6.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.656 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -177.59 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.528 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.424 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 8.9 p -64.28 165.18 9.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.386 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 43' ' ' GLY . 11.8 m -75.77 -37.03 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.27 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.421 ' O ' ' OG ' ' A' ' 46' ' ' SER . . . -80.66 -72.24 1.23 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.579 -0.609 . . . . 1.0 111.579 -178.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -39.11 -53.87 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.626 0.25 . . . . 1.0 111.56 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' A' ' 41' ' ' SER . 17.8 tt -45.37 -33.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.826 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.426 ' OG ' ' OE1' ' A' ' 53' ' ' GLN . 55.0 p -81.79 -55.86 4.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.16 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -48.53 -50.24 32.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.025 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.46 -51.29 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.81 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -70.4 0.7 6.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.056 -178.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 62.23 77.03 0.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.765 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.6 tp -148.05 147.18 29.29 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.875 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 54' ' ' SER . 16.9 m -80.46 123.19 27.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.913 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' OE1' ' OG ' ' A' ' 46' ' ' SER . 16.7 mm100 -64.14 -1.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.681 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 52' ' ' SER . 29.3 t -67.78 -48.56 66.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.685 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -81.93 -35.23 29.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.063 -178.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.4 t -40.45 -77.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.425 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.9 m -37.24 -49.09 0.91 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.928 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -75.5 -24.94 56.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.871 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 56' ' ' VAL . 10.1 tt0 -68.0 -58.35 4.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.008 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 63' ' ' LEU . 12.5 mt -50.41 -47.24 56.59 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.009 -0.276 . . . . 1.0 110.709 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -37.91 -56.58 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.636 -178.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.415 ' O ' ' OG ' ' A' ' 65' ' ' SER . 36.3 tp -56.32 -32.14 64.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.606 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' LEU . 12.0 mt -74.78 -54.48 7.25 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.956 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -70.16 -0.45 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.106 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 62' ' ' LEU . 94.7 p -79.0 -56.68 4.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 1.0 110.94 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.3 m -94.6 35.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.644 -177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.1 t60 60.19 22.47 11.81 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.912 0.338 . . . . 1.0 111.912 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -72.39 -18.95 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.709 -0.397 . . . . 1.0 110.075 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.4 m -152.29 149.29 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.276 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -96.66 124.37 40.62 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.449 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.84 160.68 17.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.616 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -152.63 131.6 12.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.226 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.535 ' CZ ' ' SD ' ' A' ' 78' ' ' MET . 81.3 mtt180 -137.91 121.63 17.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.472 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -160.5 78.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.236 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.82 -64.23 0.42 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.245 -1.142 . . . . 1.0 110.245 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -172.64 -62.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 1.0 110.336 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.2 m -63.33 -167.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.502 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.535 ' SD ' ' CZ ' ' A' ' 73' ' ' ARG . 41.5 mtt -144.17 99.1 3.33 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.505 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 72.5 mt -87.57 103.65 13.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.626 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -97.75 145.56 26.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.217 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.6 t -159.64 -178.28 6.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.738 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.88 -158.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.562 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -172.74 -41.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.402 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 48.2 t0 -65.04 157.8 27.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.417 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.403 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 24.2 pt -111.11 -16.48 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.425 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -79.07 -59.47 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.929 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.512 HG13 ' N ' ' A' ' 88' ' ' ALA . 11.6 p -44.07 -42.17 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.12 -178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.512 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -69.45 -38.92 77.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.964 -178.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -75.5 -34.29 60.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.804 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 30.6 ttm -62.44 -30.74 71.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.771 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.4 mt -77.23 -48.14 18.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 1.0 110.479 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -42.21 -72.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.467 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -58.69 -29.17 66.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.632 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.5 -60.09 3.3 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.801 -0.36 . . . . 1.0 111.218 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.5 pt -77.66 -2.56 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.165 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -78.68 -35.11 45.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 1.0 110.326 178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -83.64 -42.65 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 50.8 83.67 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.257 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -65.32 174.1 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.894 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.561 ' N ' ' ND1' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -171.3 151.09 2.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.112 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -37.34 136.75 0.36 Allowed 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.092 1.861 . . . . 1.0 112.662 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -58.69 104.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.546 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 11.7 mp0 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.051 -0.976 . . . . 1.0 110.55 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 45.8 t30 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 45.2 p -70.34 80.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.522 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -47.78 -29.3 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.917 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.6 m -59.91 -46.87 87.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.74 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.461 ' O ' HD23 ' B' ' 13' ' ' LEU . 2.0 tt -66.31 -39.23 89.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.969 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -53.66 -37.19 62.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.162 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -58.28 -55.8 30.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.051 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.4 m -67.09 -17.03 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.989 0.423 . . . . 1.0 110.521 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -78.37 -15.96 58.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.619 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -81.97 -49.77 9.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.928 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 8.2 pt -49.49 -43.57 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.879 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -69.32 -45.35 69.7 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.347 -0.541 . . . . 1.0 110.546 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -49.87 -18.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.51 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.54 -35.62 75.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.555 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.8 mt -60.13 152.09 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.47 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -169.07 -100.17 0.13 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.744 -0.942 . . . . 1.0 110.744 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -61.74 109.3 1.18 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.789 0.328 . . . . 1.0 110.57 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -72.07 4.43 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.847 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -80.6 -7.82 59.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.437 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -70.82 -35.57 72.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.82 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -43.47 -59.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.95 0.405 . . . . 1.0 110.832 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -41.83 -68.51 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.953 -0.567 . . . . 1.0 111.405 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.7 pt -63.0 -26.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.166 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' B' ' 32' ' ' MET . 10.9 tmm? -67.4 -42.77 82.76 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.798 -0.361 . . . . 1.0 110.39 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.89 -36.5 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.623 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 tt -67.52 -37.4 82.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.421 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.533 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -72.66 -31.61 65.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 1.0 109.981 -179.064 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -41.07 -21.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.016 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.6 p -164.15 69.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.695 0.76 . . . . 1.0 109.944 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 8.7 t -172.95 160.46 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.396 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -145.12 125.97 14.39 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.28 177.34 9.69 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.774 -0.37 . . . . 1.0 110.97 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -74.25 175.74 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.333 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.451 HG23 ' N ' ' B' ' 43' ' ' GLY . 24.2 m -79.63 -37.97 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.624 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.451 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -83.01 -43.72 7.45 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.129 -0.788 . . . . 1.0 111.129 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -44.26 -47.49 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 1.0 111.021 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.0 mt -65.61 -25.53 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.884 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.517 ' OG ' ' NE2' ' B' ' 53' ' ' GLN . 3.2 m -66.35 -44.95 81.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.934 -178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -70.51 -49.59 46.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.037 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.63 -61.48 2.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.033 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.47 ' O ' HD23 ' B' ' 49' ' ' LEU . 0.7 OUTLIER -65.8 -6.74 12.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.127 -178.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 62.59 80.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 1.0 110.677 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 tp -152.73 148.77 27.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 1.0 109.923 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.527 ' OG ' ' ND2' ' B' ' 55' ' ' ASN . 11.4 p -82.96 121.82 27.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.79 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.517 ' NE2' ' OG ' ' B' ' 46' ' ' SER . 2.5 tp-100 -49.03 -47.56 44.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.425 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 69.9 m -31.95 -38.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.709 -0.678 . . . . 1.0 112.252 -177.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.527 ' ND2' ' OG ' ' B' ' 52' ' ' SER . 20.3 p30 -87.72 -41.83 13.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.612 0.244 . . . . 1.0 110.695 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' B' ' 59' ' ' GLN . 77.0 t -39.44 -80.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.737 0.303 . . . . 1.0 111.336 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 39.3 t -40.1 -33.41 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.383 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.53 ' ND1' ' N ' ' B' ' 58' ' ' HIS . 0.2 OUTLIER -82.83 -28.27 30.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.036 -179.468 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' B' ' 56' ' ' VAL . 11.9 mm-40 -67.2 -51.48 52.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.606 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.26 -43.76 92.45 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.82 -0.352 . . . . 1.0 110.593 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -43.94 -49.14 8.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.007 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.07 -51.44 70.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.89 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.531 HD12 ' N ' ' B' ' 63' ' ' LEU . 10.1 mp -67.18 -66.97 0.49 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.797 0.332 . . . . 1.0 110.662 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.42 -23.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.182 -177.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 26.8 t -84.09 8.19 16.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.519 -0.309 . . . . 1.0 111.393 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.576 ' O ' HG12 ' B' ' 66' ' ' VAL . 43.5 t -132.32 15.07 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.717 0.294 . . . . 1.0 110.442 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 65.42 20.11 11.71 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.877 0.325 . . . . 1.0 111.877 175.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 41.5 mt -90.93 -18.11 25.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.639 0.257 . . . . 1.0 110.706 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 43.0 t -147.17 114.94 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.847 0.356 . . . . 1.0 110.72 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -96.27 153.0 18.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.926 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.77 -178.6 4.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.489 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -151.37 135.93 17.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.395 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -84.99 118.95 24.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.919 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.45 118.18 17.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.079 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.79 2.31 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -165.88 -44.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 1.0 110.044 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.502 ' OG ' ' N ' ' B' ' 78' ' ' MET . 29.4 t -66.66 -167.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.98 177.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.502 ' N ' ' OG ' ' B' ' 77' ' ' SER . 3.7 ptt? -155.54 99.13 2.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.055 0.455 . . . . 1.0 109.786 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.4 mt -74.75 134.2 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.807 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.457 ' CE2' HD23 ' B' ' 35' ' ' LEU . 31.0 p90 -93.64 151.19 19.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.647 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.7 m -156.21 150.34 25.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.563 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' B' ' 84' ' ' ASP . 13.3 mt -76.65 -62.02 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.651 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 69.45 -13.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' B' ' 82' ' ' LEU . 13.2 m-20 -78.97 105.55 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.717 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 5.7 tp -76.09 -22.54 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.493 ' O ' ' SD ' ' B' ' 90' ' ' MET . 40.0 t-80 -64.15 -69.66 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.711 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 34.8 t -51.78 -30.65 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.92 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.3 80.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.84 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 34.3 m -77.44 -52.89 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.885 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' B' ' 90' ' ' MET . 0.0 OUTLIER -44.81 -32.69 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.835 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 21.4 mt -78.07 -46.22 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.75 0.309 . . . . 1.0 110.607 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -47.84 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.046 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.483 ' O ' ' ND1' ' B' ' 97' ' ' HIS . 91.0 mt-30 -47.84 -34.54 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.138 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.92 -55.0 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.036 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.445 ' O ' HG22 ' B' ' 95' ' ' ILE . 68.6 mt -76.96 -8.83 12.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.595 -178.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.406 ' C ' ' N ' ' B' ' 98' ' ' ALA . 78.1 t60 -74.46 -41.41 60.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.014 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.483 ' ND1' ' O ' ' B' ' 93' ' ' GLN . 0.3 OUTLIER -49.38 -15.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.663 -179.21 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' B' ' 96' ' ' HIS . . . -73.94 -27.76 61.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.88 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -71.28 -173.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.588 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -52.18 151.17 7.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.137 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.23 -47.37 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 121.84 1.693 . . . . 1.0 111.874 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt 47.51 66.04 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.721 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.966 -1.016 . . . . 1.0 110.61 179.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.3 t-20 . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.447 -0.575 . . . . 1.0 109.447 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 9' ' ' ASN . 14.3 m -166.82 -42.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.726 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -163.28 -14.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.17 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.4 p -64.28 -40.29 95.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 1.0 110.634 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.492 ' O ' HD23 ' A' ' 13' ' ' LEU . 2.4 tt -66.58 -43.23 85.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.19 0.519 . . . . 1.0 109.9 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -43.89 -52.68 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.085 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -51.02 -36.87 41.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.939 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.7 t -68.91 -22.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 1.0 110.644 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.8 p -79.65 -15.43 57.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.051 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -79.74 -36.44 37.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.26 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.5 mt -60.19 -54.88 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.372 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' O ' HD11 ' A' ' 23' ' ' LEU . 60.8 m-85 -55.93 -42.04 75.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.741 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -78.98 -13.98 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.922 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.12 -58.81 6.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.919 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD11 ' O ' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -61.78 -175.76 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.575 -179.215 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.15 -104.62 0.2 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.0 127.42 31.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 1.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 41.1 p90 -41.01 -29.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.318 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.568 ' ND2' ' CZ ' ' A' ' 26' ' ' TYR . 53.6 m-80 -58.13 -4.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.533 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.476 ' H ' ' C ' ' A' ' 26' ' ' TYR . 14.8 tpp180 -69.39 -28.63 66.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.724 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.8 mm -76.11 -58.87 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.694 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -44.7 -71.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.055 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.528 HG23 ' N ' ' A' ' 32' ' ' MET . 17.3 tt -43.2 -42.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.367 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.528 ' N ' HG23 ' A' ' 31' ' ' ILE . 26.1 ttt -59.16 -35.49 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.532 -0.304 . . . . 1.0 110.963 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -65.01 -33.02 75.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.911 -0.315 . . . . 1.0 110.591 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -78.01 -42.44 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.439 . . . . 1.0 110.153 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' VAL . 36.0 tp -61.33 -29.71 70.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.142 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.4 t -44.87 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.771 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' LEU . 52.6 t -85.74 -47.46 16.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.304 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t 62.78 78.57 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -172.24 50.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.578 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.07 169.46 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.894 0.378 . . . . 1.0 110.895 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -81.79 -175.38 5.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.175 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -74.44 -37.06 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.94 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.19 -50.83 2.34 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.211 -0.755 . . . . 1.0 111.211 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -46.93 -33.03 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.695 0.283 . . . . 1.0 111.068 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.6 tt -74.53 -21.2 17.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.065 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 t -79.39 -45.92 18.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.037 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.502 ' C ' ' H ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -63.18 -51.6 65.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.868 -178.645 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -70.52 12.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.725 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 47' ' ' HIS . 36.2 tp -132.89 -12.47 2.91 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.255 -0.43 . . . . 1.0 109.985 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.69 85.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.184 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.664 HD13 ' H ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -158.88 146.49 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.287 -0.634 . . . . 1.0 109.287 -178.23 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.664 ' H ' HD13 ' A' ' 51' ' ' LEU . 57.9 m -74.21 114.92 13.11 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.263 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.575 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 26.5 mp0 -56.84 -3.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.993 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 52' ' ' SER . 23.1 t -81.9 -19.78 40.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.442 -0.344 . . . . 1.0 110.729 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -97.45 -42.45 7.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.264 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.679 HG23 ' N ' ' A' ' 57' ' ' SER . 30.9 m -44.99 -62.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.807 -0.357 . . . . 1.0 111.144 -176.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.679 ' N ' HG23 ' A' ' 56' ' ' VAL . 8.6 t -47.1 -39.27 12.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.807 0.337 . . . . 1.0 110.907 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -70.94 -32.5 69.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.077 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.56 -51.67 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.291 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 14.2 mt -54.07 -57.56 10.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.544 -0.298 . . . . 1.0 111.548 -177.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -39.39 -65.32 0.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.816 0.341 . . . . 1.0 111.581 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -57.86 -46.38 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.666 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.15 -37.99 84.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.504 -175.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.517 ' NZ ' ' O ' ' A' ' 70' ' ' LYS . 67.8 mttm -80.17 -38.14 31.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.318 . . . . 1.0 111.005 -178.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 67' ' ' HIS . 11.6 t -52.92 -43.54 66.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.357 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 66' ' ' VAL . 4.4 m -60.51 0.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.002 -177.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' A' ' 65' ' ' SER . 7.4 t-80 73.66 15.91 3.96 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 123.27 0.356 . . . . 1.0 111.9 176.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.5 mt -81.79 -74.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 1.0 110.13 177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.4 t -76.55 149.5 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.946 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.517 ' O ' ' NZ ' ' A' ' 64' ' ' LYS . 97.0 mttt -111.96 -176.01 2.83 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.134 -0.484 . . . . 1.0 109.959 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.97 152.03 14.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.982 0.42 . . . . 1.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -141.06 159.45 42.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.648 178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 ptt85 -133.44 127.8 34.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.999 0.428 . . . . 1.0 110.547 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -159.57 68.53 0.41 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.177 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.63 -78.89 0.2 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.316 -1.114 . . . . 1.0 110.316 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -155.77 -72.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.698 -0.482 . . . . 1.0 109.698 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.1 m -62.69 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.789 -0.642 . . . . 1.0 109.928 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.8 mtt -125.79 112.33 15.92 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.786 0.327 . . . . 1.0 110.458 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.1 mm -85.19 92.87 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.309 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -67.54 152.88 44.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.635 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.8 t -171.09 138.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.006 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -88.95 -172.18 3.59 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.912 -0.403 . . . . 1.0 109.912 178.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 17.2 p-10 -127.69 -49.96 1.37 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.231 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' A' ' 86' ' ' HIS . 21.8 m-20 -74.84 82.58 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.474 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -61.53 -0.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.54 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' A' ' 84' ' ' ASP . 7.5 t60 -68.01 -44.8 75.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.0 t -55.88 -48.91 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.673 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.44 -53.24 11.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 29.2 p -68.94 -45.07 71.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.548 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.2 ttt -47.0 -30.32 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.637 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.481 ' C ' HD23 ' A' ' 91' ' ' LEU . 2.8 tt -71.4 -65.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.953 -0.388 . . . . 1.0 109.953 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -47.69 -42.52 25.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.374 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.577 HE21 ' CE1' ' A' ' 97' ' ' HIS . 16.0 tm0? -53.31 -32.37 48.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.271 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.28 -45.45 47.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.502 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.2 mm -69.73 -5.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.268 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.468 ' C ' ' H ' ' A' ' 98' ' ' ALA . 4.2 t-80 -84.2 -67.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.71 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.577 ' CE1' HE21 ' A' ' 93' ' ' GLN . 0.9 OUTLIER -54.44 -6.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.811 -179.367 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 96' ' ' HIS . . . -78.75 53.49 1.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.68 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -164.63 101.63 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.664 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -58.1 149.57 55.93 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.05 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.69 17.19 0.57 Allowed 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 121.844 1.696 . . . . 1.0 111.821 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -172.24 135.47 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.307 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.591 179.719 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 m120 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' B' ' 11' ' ' ASP . 11.5 p -146.63 -130.64 0.07 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.074 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.505 ' N ' ' OG1' ' B' ' 10' ' ' THR . 9.7 m-20 -159.75 -51.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.311 . . . . 1.0 110.418 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -58.73 -35.14 72.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.668 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -72.49 -36.3 68.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.556 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -50.79 -26.51 5.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.333 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 28.7 mmm-85 -73.34 -42.55 62.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.358 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 5.2 t -66.04 -22.93 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.387 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 75.9 m -84.26 -19.11 34.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.616 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -77.38 -31.12 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.879 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 pt -72.05 -38.3 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.844 -0.342 . . . . 1.0 110.663 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.424 ' O ' HD11 ' B' ' 23' ' ' LEU . 44.8 m-85 -64.44 -39.87 94.64 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.416 -0.514 . . . . 1.0 110.233 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -81.28 -9.33 59.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.91 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.58 -58.38 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.003 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.427 ' C ' HD12 ' B' ' 23' ' ' LEU . 0.3 OUTLIER -68.77 -171.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.498 -178.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.54 -75.52 0.04 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.044 -0.822 . . . . 1.0 111.044 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.25 -179.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 1.0 110.724 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.441 ' C ' ' H ' ' B' ' 28' ' ' ARG . 16.7 m-85 -99.99 -47.03 5.15 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.01 177.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.589 HD22 ' N ' ' B' ' 27' ' ' ASN . 1.4 m120 -64.63 3.0 0.56 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.78 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' B' ' 26' ' ' TYR . 2.2 tmt_? -58.25 -29.86 66.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.165 179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' B' ' 32' ' ' MET . 16.1 mt -81.73 -46.13 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.8 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 33.5 ttm-85 -42.36 -46.43 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.08 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.8 pt -74.72 -29.35 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.538 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' ILE . 20.9 ttt -64.66 -46.37 82.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.851 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -67.59 -21.37 65.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.832 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -78.06 -39.45 41.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.685 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.455 ' C ' ' N ' ' B' ' 37' ' ' VAL . 35.9 mt -67.11 -27.15 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.704 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.4 m -46.88 -17.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.022 0.439 . . . . 1.0 110.224 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.455 ' N ' ' C ' ' B' ' 35' ' ' LEU . 5.4 p -171.63 77.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.581 -0.736 . . . . 1.0 109.808 178.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 33.9 t -172.42 178.81 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.561 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -178.34 132.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.224 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.25 -177.72 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.861 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.419 ' O ' HG22 ' B' ' 45' ' ' ILE . 24.5 m -77.4 176.53 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.325 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.5 t -75.14 -39.94 43.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.009 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.64 -55.74 2.5 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.213 -0.755 . . . . 1.0 111.213 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -43.48 -49.52 7.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.769 0.319 . . . . 1.0 111.134 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.419 HG22 ' O ' ' B' ' 41' ' ' SER . 14.7 tt -55.53 -25.49 17.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.906 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -74.49 -65.06 0.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 1.0 111.162 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.55 ' NE2' ' NE2' ' B' ' 53' ' ' GLN . 34.5 m80 -52.0 -48.51 64.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.153 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.518 ' NE2' ' O ' ' B' ' 48' ' ' GLN . 0.1 OUTLIER -52.58 -50.65 62.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.784 -177.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 mt -80.65 8.58 7.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.226 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.44 ' ND2' ' N ' ' B' ' 50' ' ' ASN . 2.0 m120 59.31 53.64 5.19 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.765 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 33.4 mt -129.63 154.66 46.89 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.244 -0.435 . . . . 1.0 109.965 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.7 t -79.94 116.54 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.568 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.55 ' NE2' ' NE2' ' B' ' 47' ' ' HIS . 39.0 mt-30 -42.91 -55.78 3.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.997 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' B' ' 55' ' ' ASN . 82.8 p -44.16 -64.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.888 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.427 ' N ' ' OG ' ' B' ' 54' ' ' SER . 64.0 t30 -53.74 -50.71 65.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.516 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 70.5 t -50.12 -68.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.392 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.5 p -45.83 -47.49 15.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.778 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -60.58 -26.31 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.724 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -71.56 -48.64 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.865 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 mt -55.79 -41.02 73.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 1.0 110.587 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -46.64 -57.82 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.461 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 tp -47.76 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.386 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.615 HD12 ' H ' ' B' ' 63' ' ' LEU . 9.2 mp -42.36 -51.62 4.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.891 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -43.68 -53.0 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.152 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.512 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 10.6 m -64.5 -29.5 70.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.233 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.458 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 25.9 t -81.54 -6.99 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.754 -178.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' B' ' 65' ' ' SER . 1.2 m170 75.73 20.59 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.635 177.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 26.2 mt -83.98 -9.24 58.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.142 -0.223 . . . . 1.0 110.731 179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -152.53 139.0 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.014 0.435 . . . . 1.0 111.053 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -98.62 168.67 10.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.788 -0.642 . . . . 1.0 109.765 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -149.18 116.52 6.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.822 0.344 . . . . 1.0 110.724 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -82.14 134.86 35.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.47 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -78.04 117.24 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.726 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -142.37 103.0 4.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.528 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 -145.56 37.37 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -62.87 -61.81 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.672 0.273 . . . . 1.0 111.048 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 66.5 m -85.26 -167.6 1.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.876 0.37 . . . . 1.0 110.982 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.8 mtt -141.47 132.94 26.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.25 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 71.3 mt -83.11 120.31 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.714 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -78.1 132.52 37.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.559 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 10.7 t -164.18 132.56 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.705 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.414 ' C ' HD12 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -80.17 -168.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.057 179.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -154.19 -31.01 0.11 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.626 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' B' ' 84' ' ' ASP . 1.2 p30 -70.8 88.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.43 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.0 pt -76.69 2.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -64.92 -45.67 84.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.588 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.418 ' H ' HG12 ' B' ' 87' ' ' VAL . 4.0 p -71.87 -29.19 32.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.587 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.06 -42.26 97.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.656 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 27.7 p -73.35 -40.42 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.611 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 77.4 mtp -63.53 -20.62 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.613 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.486 ' C ' HD23 ' B' ' 91' ' ' LEU . 3.2 tt -72.44 -64.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.186 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' B' ' 96' ' ' HIS . 75.4 mttt -50.37 -60.53 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.68 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -41.28 -37.64 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.202 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.87 -59.0 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.839 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 23.5 pt -81.24 -1.76 5.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.217 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' B' ' 92' ' ' LYS . 58.7 t-80 -81.09 -27.58 35.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 1.0 110.478 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.478 ' ND1' ' N ' ' B' ' 98' ' ' ALA . 0.0 OUTLIER -50.44 -21.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.638 -179.672 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.478 ' N ' ' ND1' ' B' ' 97' ' ' HIS . . . -64.53 -25.62 68.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.56 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -94.14 143.28 26.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.436 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.446 ' ND1' ' N ' ' B' ' 100' ' ' HIS . 1.3 p-80 -78.36 148.94 74.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.026 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.25 150.12 36.68 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 121.82 1.68 . . . . 1.0 112.127 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.494 ' N ' ' CD ' ' B' ' 102' ' ' LYS . 0.7 OUTLIER -80.15 6.38 11.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.275 179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.382 -179.821 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.6 t30 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.6 p -151.1 -39.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.806 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -158.38 -29.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.934 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 12' ' ' THR . 0.1 OUTLIER -60.48 -36.0 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.669 -179.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' O ' HG22 ' A' ' 16' ' ' VAL . 6.2 tp -62.0 -40.33 95.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.455 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -50.7 -21.49 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.898 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -66.42 -60.4 2.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.077 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 13' ' ' LEU . 9.6 m -57.9 -15.67 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.569 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.7 m -78.82 -26.72 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.242 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -77.19 -43.11 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.285 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.407 ' H ' HG12 ' A' ' 19' ' ' ILE . 12.3 pt -58.89 -38.18 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.92 -0.312 . . . . 1.0 111.254 -177.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -71.27 -35.89 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.18 -0.608 . . . . 1.0 109.92 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -53.04 -28.1 22.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.737 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.51 96.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.773 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 3.5 mm? -51.82 130.27 28.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.043 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -172.85 128.43 1.53 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER 58.29 119.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.799 0.333 . . . . 1.0 110.806 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.461 ' C ' ' N ' ' A' ' 28' ' ' ARG . 12.3 p90 -50.95 -34.0 26.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.538 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -45.22 -18.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.1 0.476 . . . . 1.0 110.442 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' N ' ' C ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -60.12 -54.03 50.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.332 178.737 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mt -62.44 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -43.09 -73.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.819 0.342 . . . . 1.0 111.101 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.52 HG23 ' N ' ' A' ' 32' ' ' MET . 14.0 tt -52.16 -46.23 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.618 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.52 ' N ' HG23 ' A' ' 31' ' ' ILE . 3.0 tpt -46.05 -35.05 4.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.041 -178.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.65 -32.58 65.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.473 -0.33 . . . . 1.0 111.02 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.2 tp -74.24 -40.2 62.56 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.499 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.475 ' C ' ' N ' ' A' ' 37' ' ' VAL . 49.1 mt -61.96 -25.74 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.35 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 t -45.06 -17.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 1.0 110.645 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.475 ' N ' ' C ' ' A' ' 35' ' ' LEU . 73.7 t -82.59 -46.59 19.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.039 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' LEU . 3.9 p 79.69 48.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.839 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -171.49 81.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.845 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.55 128.18 5.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.628 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.3 t -56.68 156.96 5.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.224 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.78 -40.39 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.039 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.46 -48.86 9.92 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.511 -0.636 . . . . 1.0 111.511 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -42.68 -42.28 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.71 0.291 . . . . 1.0 111.145 -178.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 mm -49.44 -39.68 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.717 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 47' ' ' HIS . 86.6 p -71.9 -70.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.91 0.386 . . . . 1.0 111.282 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.675 ' CD2' HE21 ' A' ' 53' ' ' GLN . 23.6 m170 -55.94 -51.59 67.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.404 -177.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -57.99 -57.92 10.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.373 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -73.9 3.44 6.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.73 -176.549 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 60.37 61.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.89 -0.324 . . . . 1.0 111.279 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.6 mt -134.32 155.45 50.21 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.48 ' C ' ' H ' ' A' ' 54' ' ' SER . 10.3 t -79.86 127.5 32.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.661 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.675 HE21 ' CD2' ' A' ' 47' ' ' HIS . 22.2 mp0 -52.8 -5.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.537 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.48 ' H ' ' C ' ' A' ' 52' ' ' SER . 20.0 m -85.91 -24.39 26.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 1.0 110.372 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -84.66 -50.4 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.166 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.75 HG23 ' H ' ' A' ' 57' ' ' SER . 26.8 m -53.72 -64.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.869 -0.332 . . . . 1.0 110.916 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.75 ' H ' HG23 ' A' ' 56' ' ' VAL . 7.0 t -40.29 -48.63 2.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.788 0.328 . . . . 1.0 111.379 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -71.6 -27.33 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.493 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 56' ' ' VAL . 4.4 tp-100 -63.8 -66.62 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.991 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -47.42 -38.89 14.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.644 0.259 . . . . 1.0 111.184 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -44.55 -62.86 1.04 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.722 0.296 . . . . 1.0 110.837 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.79 -64.84 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.372 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.4 mt -37.05 -51.22 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.834 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -59.2 -38.13 79.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.546 -177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 67' ' ' HIS . 29.7 p -70.76 -52.99 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.504 -0.317 . . . . 1.0 111.579 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.1 m -53.76 -4.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.66 -176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.478 ' H ' ' C ' ' A' ' 65' ' ' SER . 10.8 t-80 72.63 16.14 4.81 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.747 0.277 . . . . 1.0 111.747 177.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.34 -79.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.163 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 m -74.59 155.7 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 1.0 110.813 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -129.77 146.5 51.52 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.202 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.67 163.41 15.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -151.34 143.54 24.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.412 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.3 ptt85 -139.4 106.25 5.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.963 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -158.43 83.86 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.418 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.73 -170.24 45.73 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.371 -1.091 . . . . 1.0 110.371 -178.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 40.89 -99.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 1.0 111.095 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 m -162.13 -170.48 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 58.7 mtm -67.59 118.46 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.37 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 82.8 mt -132.96 117.05 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.215 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -91.07 141.32 28.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.588 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.0 t -159.62 179.08 9.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.535 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.35 -158.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.534 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -169.13 -58.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.423 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.2 111.44 5.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.455 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.3 tt -67.11 -23.53 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.663 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -68.21 -57.71 5.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.77 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.2 t -51.71 -37.88 20.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.877 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.65 -41.98 87.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.719 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.404 ' H ' ' HG1' ' A' ' 89' ' ' THR . 22.2 p -73.79 -50.27 21.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.592 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 93.4 mtp -44.29 -29.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.97 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.472 ' C ' HD23 ' A' ' 91' ' ' LEU . 2.3 tt -74.18 -60.33 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.077 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -47.14 -61.08 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.535 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -43.99 -39.83 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.066 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -61.69 -63.64 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.977 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 95' ' ' ILE . 19.5 pt -74.62 -1.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.126 -178.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -75.37 -41.28 56.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 1.0 110.458 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -79.56 -8.62 59.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.688 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.94 54.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.625 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.43 176.65 5.25 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.388 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -173.57 68.65 0.34 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.522 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.16 -52.24 0.06 OUTLIER 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.427 2.085 . . . . 1.0 112.222 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -79.83 132.74 36.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.548 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.009 -0.996 . . . . 1.0 110.551 -179.824 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 24.6 m120 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.425 -0.583 . . . . 1.0 109.425 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.47 ' C ' ' H ' ' B' ' 12' ' ' THR . 3.3 m -152.07 5.42 0.42 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.192 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 59.38 1.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.795 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.47 ' H ' ' C ' ' B' ' 10' ' ' THR . 11.1 m -79.59 -58.07 3.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.812 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 21.5 mt -79.05 -13.99 59.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.813 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -55.07 -35.39 64.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.497 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -67.43 -50.06 60.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.382 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 48.3 t -58.48 -20.63 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.383 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.9 m -80.54 -25.95 38.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.218 178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -66.34 -28.56 68.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.417 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 40.3 mt -74.31 -58.5 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.494 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -64.39 -45.19 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.757 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -50.63 -41.01 54.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.47 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.63 -39.22 70.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.43 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.541 HD23 ' N ' ' B' ' 24' ' ' GLY . 2.1 tt -45.5 125.42 5.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.314 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.541 ' N ' HD23 ' B' ' 23' ' ' LEU . . . -159.83 124.48 1.35 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.14 -0.784 . . . . 1.0 111.14 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' B' ' 27' ' ' ASN . 9.4 m-20 57.17 114.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 1.0 110.656 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -58.31 -3.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.588 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.475 ' H ' ' C ' ' B' ' 25' ' ' ASP . 3.1 m120 -62.89 -17.62 61.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.684 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -61.02 -56.6 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.722 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mm -45.09 -51.83 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.476 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 81.8 mtt-85 -45.7 -52.24 11.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.577 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' B' ' 34' ' ' LEU . 83.4 mt -67.07 -62.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.465 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 64.5 mmm -44.35 -32.37 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.819 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -74.5 -31.44 62.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.82 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.507 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -72.1 -38.01 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.279 -178.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.47 -45.57 75.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.887 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 51.5 p -46.12 -24.04 0.39 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.794 0.331 . . . . 1.0 110.539 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -78.14 -41.84 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.652 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.511 ' OG ' ' N ' ' B' ' 39' ' ' GLU . 12.3 t -177.64 -113.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.782 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.511 ' N ' ' OG ' ' B' ' 38' ' ' SER . 8.5 pt-20 -166.29 165.47 17.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 1.0 110.464 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.21 176.02 11.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.588 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -69.83 164.21 24.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.592 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.508 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.8 p -63.37 -42.34 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 1.0 111.384 -178.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.508 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -84.66 -66.77 1.45 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.961 -0.456 . . . . 1.0 111.961 -177.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -39.57 -48.89 2.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.677 0.251 . . . . 1.0 111.677 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 tt -44.81 -32.12 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.963 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -75.46 -42.14 53.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.236 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -59.22 -54.46 46.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.16 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -66.05 -44.55 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.151 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.1 tp -72.25 -9.46 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 1.0 110.515 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 67.2 69.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.227 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -140.54 149.01 41.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.043 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.478 ' C ' ' H ' ' B' ' 54' ' ' SER . 17.4 t -77.94 116.74 18.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.254 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.66 -3.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.444 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.478 ' H ' ' C ' ' B' ' 52' ' ' SER . 8.3 t -76.73 -42.11 42.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.861 0.362 . . . . 1.0 110.494 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' B' ' 59' ' ' GLN . 1.5 m-20 -87.26 -36.41 17.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.78 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' B' ' 59' ' ' GLN . 92.2 t -43.24 -76.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.325 -178.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.1 t -43.4 -47.64 6.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.048 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -65.44 -29.35 70.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.612 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 55' ' ' ASN . 5.3 tp-100 -66.86 -59.38 3.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.785 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' B' ' 60' ' ' LEU . 39.6 mt -44.11 -33.7 1.57 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.839 0.352 . . . . 1.0 110.858 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -51.58 -52.32 48.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.733 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 9.4 tp -63.19 -27.44 69.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.358 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.507 ' N ' HD22 ' B' ' 63' ' ' LEU . 3.4 mm? -76.15 -46.65 27.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.621 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.495 ' C ' ' H ' ' B' ' 66' ' ' VAL . 58.2 tttm -75.02 -37.77 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.394 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -58.8 0.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.506 -0.315 . . . . 1.0 111.556 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.495 ' H ' ' C ' ' B' ' 64' ' ' LYS . 2.5 t -133.8 15.44 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.665 0.269 . . . . 1.0 110.724 -178.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.4 m170 62.23 15.93 7.96 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.195 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.526 ' O ' HD23 ' B' ' 68' ' ' LEU . 0.8 OUTLIER -76.51 -21.91 55.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.115 0.483 . . . . 1.0 109.765 179.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -150.46 144.18 17.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.437 ' N ' ' CD ' ' B' ' 70' ' ' LYS . 3.2 mptp? -96.33 154.91 17.0 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -149.06 100.42 3.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.253 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.428 ' NZ ' ' CB ' ' B' ' 72' ' ' LYS . 2.1 ttmp? -155.35 152.75 29.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.323 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -82.1 163.25 22.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.744 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -156.09 66.84 0.59 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.905 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.21 27.41 61.98 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.624 -0.59 . . . . 1.0 111.624 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -153.53 -81.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.684 0.278 . . . . 1.0 110.429 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 73.3 p -166.81 -169.46 1.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 21.5 mmt -64.95 119.65 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.363 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.409 HG23 ' O ' ' B' ' 79' ' ' ILE . 14.4 tt -145.95 124.82 5.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.878 0.37 . . . . 1.0 110.482 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 15.8 p90 -112.72 145.73 39.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.754 -178.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.9 p -160.85 174.23 14.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.725 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 82' ' ' LEU . 7.0 mp -87.76 120.62 29.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.278 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -85.71 -45.59 11.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -77.8 100.56 6.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.801 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 14.0 mm -61.59 -32.05 52.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.523 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -45.8 -46.29 15.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.702 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.6 -47.21 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.758 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.42 -62.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.096 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 18.6 m -60.72 -39.56 89.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.017 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 21.4 ttt -45.26 -35.01 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.933 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 94' ' ' ALA . 13.6 mt -74.23 -61.35 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.859 -0.336 . . . . 1.0 110.55 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' B' ' 96' ' ' HIS . 0.9 OUTLIER -45.8 -33.25 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 1.0 110.317 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -67.51 -30.78 70.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.695 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -73.71 -45.56 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.98 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.673 HD12 ' N ' ' B' ' 95' ' ' ILE . 1.9 mp -73.49 -7.85 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.514 -0.312 . . . . 1.0 110.23 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' B' ' 92' ' ' LYS . 39.9 m170 -86.29 -47.39 9.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.516 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -50.85 -36.28 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.452 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.54 -18.73 65.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.607 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -88.02 96.33 10.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.561 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 20.8 t-80 -168.58 58.95 0.39 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' B' ' 102' ' ' LYS . 83.6 Cg_endo -77.33 157.34 33.19 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.608 2.205 . . . . 1.0 111.83 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' B' ' 101' ' ' PRO . 35.3 ttpt 55.62 112.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.77 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.043 -0.979 . . . . 1.0 110.547 179.821 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.5 m120 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.35 -0.611 . . . . 1.0 109.35 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.6 m -153.62 108.51 3.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.461 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -83.4 -11.47 57.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.706 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.6 m -68.62 -60.18 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.728 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.6 mt -72.84 -20.05 61.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.465 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.01 -35.56 62.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.577 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -75.66 -41.16 54.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.77 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.42 -26.75 27.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.602 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -79.68 -28.88 40.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.131 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.91 -37.54 87.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.164 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.46 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 69.8 mt -61.84 -61.21 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.49 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -62.75 -45.16 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.653 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.31 -17.07 16.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.652 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -67.33 -44.04 80.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.591 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' ' CD1' ' B' ' 20' ' ' PHE . 13.9 mt -55.49 163.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.477 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.561 ' H ' ' NE ' ' A' ' 28' ' ' ARG . . . -173.42 -83.58 0.06 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.712 ' H ' HH21 ' A' ' 28' ' ' ARG . 64.4 m-20 -61.37 178.65 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 1.0 110.597 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -100.27 -49.63 4.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.465 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -69.34 3.24 2.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.209 -178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.712 HH21 ' H ' ' A' ' 25' ' ' ASP . 4.2 ptp180 -60.98 -32.52 72.08 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.842 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.549 HG23 ' N ' ' A' ' 30' ' ' ARG . 16.1 tt -83.03 -45.67 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.952 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.549 ' N ' HG23 ' A' ' 29' ' ' ILE . 36.9 mtm180 -38.32 -41.56 0.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.541 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.91 -53.56 25.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.452 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.6 mtp -46.18 -32.44 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.791 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' OG ' ' A' ' 36' ' ' SER . 43.8 mt-10 -66.34 -74.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.771 -179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.3 tp -49.0 -30.71 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.613 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' ' 38' ' ' SER . 11.0 tp -70.21 -54.77 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.631 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 24.7 p -45.34 -23.56 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.75 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.4 t -81.17 -35.38 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.911 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 35' ' ' LEU . 17.2 m -165.61 -138.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.839 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.7 166.68 31.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.421 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.17 -177.92 6.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.648 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.6 t -71.92 168.75 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.7 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 t -65.37 -52.45 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.384 -178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.99 -43.61 8.11 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 121.228 -0.511 . . . . 1.0 111.88 -176.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -45.54 -28.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.369 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.4 mt -77.88 -25.37 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.973 -0.291 . . . . 1.0 110.993 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' GLY . 3.5 m -68.91 -51.13 43.2 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.95 -0.3 . . . . 1.0 111.372 -177.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -70.7 -50.35 37.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.249 -177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -61.71 -46.42 89.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.396 . . . . 1.0 111.136 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.2 tp -76.89 -1.69 29.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 1.0 110.821 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.55 65.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.946 0.403 . . . . 1.0 110.421 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tp -144.57 153.39 41.76 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.253 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 54' ' ' SER . 13.9 t -82.23 124.63 30.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.807 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -61.04 1.61 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.427 -0.351 . . . . 1.0 111.212 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 52' ' ' SER . 53.6 p -88.62 -26.08 22.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 1.0 110.338 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -86.33 -41.8 14.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.186 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.644 HG23 ' H ' ' A' ' 57' ' ' SER . 29.2 m -42.56 -59.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.202 -177.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.644 ' H ' HG23 ' A' ' 56' ' ' VAL . 23.2 m -39.62 -64.89 0.44 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.726 0.298 . . . . 1.0 111.39 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -61.15 -30.97 70.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.577 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.62 HE22 ' CD1' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -62.18 -67.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.612 -178.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.42 -47.02 85.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.85 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -44.5 -53.73 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.827 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 tp -51.9 -73.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.558 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.62 ' CD1' HE22 ' A' ' 59' ' ' GLN . 27.1 mt -44.55 -53.65 6.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.92 -179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -47.4 -49.43 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 1.0 111.042 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.2 m -61.44 -36.01 79.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.188 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 66' ' ' VAL . 33.4 t -77.87 -3.59 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.682 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 71.41 15.91 6.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.56 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.5 mt -79.96 -13.68 59.16 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 110.001 -0.37 . . . . 1.0 110.001 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.7 t -148.58 132.33 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.182 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.3 mttm -96.67 -172.47 2.5 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.512 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.08 108.09 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.404 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.2 mmtt -75.05 138.85 42.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.562 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -109.86 90.54 3.34 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.74 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.65 113.51 25.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.215 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 38.06 53.36 2.08 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.859 -0.496 . . . . 1.0 111.859 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 67.78 77.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 1.0 110.648 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 t -169.45 104.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.59 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 33.0 mtt -81.98 110.09 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.665 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.52 116.22 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.887 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -73.41 126.13 29.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.85 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.5 m -151.28 142.12 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.662 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.1 tp -90.85 114.06 26.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.313 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.79 -37.77 67.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.559 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 4.5 m-20 -82.35 87.58 6.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.661 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 85' ' ' ILE . 70.6 mt -77.56 -11.28 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.423 ' ND1' ' N ' ' A' ' 86' ' ' HIS . 2.3 m-70 -61.68 -54.4 43.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.978 -179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.05 -26.8 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.748 0.308 . . . . 1.0 110.643 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 85' ' ' ILE . . . -55.43 -48.07 75.01 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.137 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.6 m -63.59 -37.1 86.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 90' ' ' MET . 10.8 tmm? -46.59 -35.38 5.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.691 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 91' ' ' LEU . 3.3 mm? -72.84 -55.95 5.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.955 -0.387 . . . . 1.0 109.955 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -41.35 -47.72 3.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -66.55 -32.19 73.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.662 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -68.0 -51.69 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.761 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.8 mm -63.61 -11.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.655 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.493 ' C ' ' HD1' ' A' ' 96' ' ' HIS . 4.7 t-80 -83.45 -41.46 18.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.504 -0.317 . . . . 1.0 110.568 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.48 ' O ' ' ND1' ' A' ' 97' ' ' HIS . 1.5 t60 -71.35 2.9 4.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.493 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.54 67.84 0.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -136.81 177.0 8.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.387 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -162.44 59.39 0.93 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.619 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.54 105.01 2.0 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.718 2.279 . . . . 1.0 111.981 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -76.08 179.3 5.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.619 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.54 179.866 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 p30 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 50.3 m -123.79 -75.31 0.6 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.289 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -172.9 -59.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.736 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.9 m -70.84 -34.31 71.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.78 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 tp -58.86 -45.42 90.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.347 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -46.98 -50.4 19.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.736 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -51.26 -37.42 47.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.32 -22.16 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.533 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.7 m -79.89 -24.59 41.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.354 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' B' ' 22' ' ' ALA . 20.0 tp10 -70.07 -35.62 74.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.555 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.0 mt -64.57 -58.22 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.682 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.458 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 65.0 m-85 -65.82 -41.84 91.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.876 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -65.39 -33.04 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.857 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' B' ' 18' ' ' GLU . . . -59.05 -44.32 91.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.595 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 tp -47.12 149.87 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.476 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.522 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -167.83 133.46 2.9 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.049 -0.82 . . . . 1.0 111.049 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' B' ' 24' ' ' GLY . 46.2 t0 57.97 117.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 1.0 110.709 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -56.69 -20.98 24.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.758 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.438 ' OD1' ' NH2' ' B' ' 30' ' ' ARG . 55.9 t30 -59.29 -15.52 16.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.701 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.522 ' NH1' ' O ' ' B' ' 24' ' ' GLY . 0.0 OUTLIER -66.9 -35.3 79.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.539 -179.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.95 -52.71 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.561 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.438 ' NH2' ' OD1' ' B' ' 27' ' ' ASN . 57.7 ttp180 -42.21 -46.09 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.062 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 70.3 mt -69.38 -51.8 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.55 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 23.8 ttt -45.95 -31.71 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.766 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.98 -55.24 11.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.732 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.75 -37.72 85.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.36 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.4 tp -65.09 -21.57 66.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.332 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.7 t -77.92 -12.92 60.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.497 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.417 ' O ' ' OG ' ' B' ' 38' ' ' SER . 45.4 t -83.92 -40.66 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.63 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 59.7 m -167.22 -121.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.658 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.04 171.22 11.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 1.0 110.621 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.15 -178.16 6.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.438 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.482 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 9.5 p -70.76 165.95 21.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.495 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -66.31 -38.35 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.093 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -86.03 -57.67 2.11 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.478 -0.649 . . . . 1.0 111.478 -178.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.482 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 0.2 OUTLIER -40.67 -48.72 2.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.812 0.339 . . . . 1.0 111.167 -178.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.435 HG22 ' O ' ' B' ' 41' ' ' SER . 15.5 tt -57.59 -33.99 46.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.44 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.482 ' N ' ' O ' ' B' ' 43' ' ' GLY . 10.1 m -71.2 -73.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.39 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -47.42 -47.82 26.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.141 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -51.83 -51.56 55.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.04 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.4 mt -83.4 10.09 9.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.417 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 59.73 67.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 1.0 110.952 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.428 HD21 ' NH2' ' B' ' 30' ' ' ARG . 83.2 mt -138.54 149.17 45.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.989 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.463 ' C ' ' H ' ' B' ' 54' ' ' SER . 15.1 t -78.65 116.82 19.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.442 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -58.35 -2.79 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.02 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.463 ' H ' ' C ' ' B' ' 52' ' ' SER . 30.5 t -86.23 -28.02 24.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.51 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.68 -44.22 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.999 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.626 HG23 ' N ' ' B' ' 57' ' ' SER . 21.2 m -43.74 -55.21 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.575 -0.284 . . . . 1.0 111.118 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.626 ' N ' HG23 ' B' ' 56' ' ' VAL . 73.4 m -40.15 -38.27 0.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.304 . . . . 1.0 111.288 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -80.6 -29.33 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.783 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.51 ' N ' ' O ' ' B' ' 56' ' ' VAL . 24.9 mt-30 -62.36 -72.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.451 -0.34 . . . . 1.0 111.148 -178.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.4 -50.13 63.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.034 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -44.04 -63.7 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.332 -0.394 . . . . 1.0 111.091 -178.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 tp -40.4 -52.42 2.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.534 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.57 HD12 ' N ' ' B' ' 63' ' ' LEU . 7.4 mp -66.78 -42.98 85.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.659 -178.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.18 -17.79 63.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.942 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.4 m -81.35 -44.24 17.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.268 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.465 ' H ' HG22 ' B' ' 66' ' ' VAL . 3.9 m -76.36 12.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.055 -0.258 . . . . 1.0 111.285 -177.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 70.06 17.05 7.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.325 0.491 . . . . 1.0 112.325 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.22 -83.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.586 -0.446 . . . . 1.0 110.044 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 m -78.0 160.35 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.793 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -130.21 -164.95 1.47 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.081 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -163.89 -165.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.97 0.415 . . . . 1.0 110.712 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -146.17 135.83 23.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.194 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -78.07 118.69 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.806 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -140.81 103.69 4.55 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.31 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.86 -134.69 46.65 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.44 ' CD ' ' N ' ' B' ' 76' ' ' GLN . 3.6 mp0 -87.23 -15.31 38.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.771 0.32 . . . . 1.0 110.703 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.507 ' OG ' ' N ' ' B' ' 78' ' ' MET . 14.3 t -101.72 -174.85 2.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.31 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.527 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -154.35 119.02 4.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.977 0.418 . . . . 1.0 109.964 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.7 mm -82.68 110.74 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.94 -178.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -74.88 138.92 42.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.434 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.4 p -157.76 160.6 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.632 HD22 ' N ' ' B' ' 82' ' ' LEU . 2.8 mm? -81.1 -167.71 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.968 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -157.15 -61.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.59 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -72.34 103.15 3.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.58 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.58 -20.18 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.598 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.456 ' ND1' ' N ' ' B' ' 86' ' ' HIS . 1.3 m80 -50.75 -40.76 55.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.647 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.3 t -78.11 -47.29 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.843 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.95 -51.34 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.862 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 12.3 t -70.86 -33.87 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.876 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . 0.449 ' O ' ' SD ' ' B' ' 90' ' ' MET . 1.6 tmt? -57.45 -27.98 62.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.502 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 33.4 tp -80.15 -34.49 37.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.062 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -59.35 -60.59 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.767 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -55.94 -28.07 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.714 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.64 -49.35 63.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.95 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.474 ' O ' HG22 ' B' ' 95' ' ' ILE . 86.4 mt -77.51 -8.81 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.989 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -81.64 -40.03 23.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 1.0 110.601 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' B' ' 99' ' ' ASN . 46.0 t-80 -67.31 -31.75 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.639 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.31 -15.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.565 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.55 HD22 ' N ' ' B' ' 99' ' ' ASN . 0.0 OUTLIER -167.8 -145.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.522 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.415 ' O ' ' ND1' ' B' ' 100' ' ' HIS . 60.6 t-80 52.68 60.36 12.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.577 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.31 128.38 11.2 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.637 2.225 . . . . 1.0 111.929 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -67.57 -170.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.512 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 72.6 tt0 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.043 -0.98 . . . . 1.0 110.644 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.8 m120 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 10' ' ' THR . 9.0 t -164.41 128.8 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.507 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' H ' ' H ' ' A' ' 12' ' ' THR . 1.4 p30 -153.86 -10.16 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.357 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.414 ' H ' ' H ' ' A' ' 11' ' ' ASP . 20.9 m -108.35 -53.07 2.68 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.817 177.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 tp -69.6 -31.75 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.347 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 17' ' ' THR . 76.6 tt0 -54.6 -14.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.732 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -77.09 -59.12 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.952 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.416 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 23.5 m -61.39 -15.5 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.774 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 33.5 p -78.5 -39.17 38.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.545 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -63.05 -26.44 68.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.587 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mt -69.62 -67.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.812 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 16' ' ' VAL . 20.0 m-85 -56.34 -42.27 77.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.356 . . . . 1.0 111.022 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -57.84 -33.26 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.721 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.58 88.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.731 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -55.38 157.99 3.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.501 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.5 -91.94 0.08 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.776 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 70.3 m-20 -57.76 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.317 . . . . 1.0 110.502 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.428 ' C ' ' H ' ' A' ' 28' ' ' ARG . 34.2 t80 -99.81 -44.34 6.11 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.344 178.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -64.67 3.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.388 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.776 ' HE ' ' H ' ' A' ' 25' ' ' ASP . 34.8 mmt180 -50.62 -55.2 17.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 1.0 110.92 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.77 -33.02 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.478 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -47.04 -73.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.909 -0.317 . . . . 1.0 111.086 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 pt -54.72 -37.98 41.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.491 -0.322 . . . . 1.0 110.881 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.3 ttt -53.92 -31.59 50.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.634 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -74.47 -25.86 59.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.986 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 tp -77.34 -41.9 38.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.886 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.77 -24.82 66.24 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.816 -0.354 . . . . 1.0 110.66 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.509 ' O ' HG13 ' A' ' 37' ' ' VAL . 17.8 p -64.21 -21.57 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.793 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 36' ' ' SER . 15.6 m -160.05 55.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.765 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.6 m 163.26 98.66 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.161 -0.311 . . . . 1.0 110.161 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -84.84 152.86 23.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.204 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.25 179.69 7.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 1.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.5 p -83.02 -173.34 4.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.366 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.2 t -78.44 -38.17 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.106 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.27 -60.62 2.35 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.313 -0.715 . . . . 1.0 111.313 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -43.08 -55.37 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.712 0.292 . . . . 1.0 111.081 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 46' ' ' SER . 20.2 tt -53.82 -35.3 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.316 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 45' ' ' ILE . 9.2 t -76.29 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.028 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -52.09 -50.15 62.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.05 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' ASN . 30.7 mt-30 -55.69 -62.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.03 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.523 HD12 ' N ' ' A' ' 49' ' ' LEU . 7.4 mp -65.01 6.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.908 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.469 ' H ' ' C ' ' A' ' 48' ' ' GLN . 5.2 m120 62.14 31.24 17.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.547 0.213 . . . . 1.0 111.506 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 mt -103.52 150.84 23.53 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 54' ' ' SER . 43.2 m -78.16 111.59 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.497 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -56.16 -5.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.77 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 52' ' ' SER . 7.8 t -78.88 -42.27 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.416 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.64 -36.7 32.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.583 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 59' ' ' GLN . 98.0 t -46.0 -64.34 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.685 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 p -43.09 -45.6 5.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.927 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -70.84 -32.16 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.361 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 56' ' ' VAL . 7.9 tt0 -64.05 -59.53 4.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.817 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 mt -53.78 -39.01 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.722 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -45.67 -60.85 1.97 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.515 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 tp -46.7 -66.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.548 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.9 mp -45.11 -51.81 9.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.632 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -52.83 -61.46 2.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.802 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 t -53.88 -30.6 46.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.496 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 66' ' ' VAL . 68.4 t -79.92 -6.36 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.732 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 70.17 19.33 6.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.943 0.401 . . . . 1.0 110.762 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -82.25 -0.67 46.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.14 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -155.19 148.94 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.38 . . . . 1.0 110.829 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -104.98 122.12 45.17 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.241 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 170.07 11.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.877 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -154.96 134.8 12.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.431 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -90.99 114.67 27.25 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.433 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 76' ' ' GLN . 41.0 mt-30 -139.2 133.95 32.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.906 0.384 . . . . 1.0 110.699 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.35 -73.65 0.09 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.202 -0.759 . . . . 1.0 111.202 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 74' ' ' GLN . 47.5 tt0 -157.67 -56.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 78' ' ' MET . 37.8 t -63.49 -167.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.793 -0.639 . . . . 1.0 109.549 177.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -131.31 101.71 5.67 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.0 mm -75.77 111.26 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.699 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -76.52 140.16 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.516 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.4 p -152.99 147.92 26.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.543 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -70.98 -167.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.678 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -160.09 -34.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.395 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.85 141.53 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.555 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.2 mm -103.5 -19.34 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.407 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 89' ' ' THR . 7.2 m170 -79.48 -41.33 27.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.983 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.1 t -43.56 -37.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.423 -0.353 . . . . 1.0 111.119 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.04 -29.72 43.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.772 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 86' ' ' HIS . 86.4 m -78.26 -45.0 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.07 -178.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.6 ptm -69.65 -25.76 64.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.076 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.5 tp -71.1 -64.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 1.0 110.351 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -47.62 -30.4 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.147 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -63.27 -33.84 76.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.59 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 -41.25 76.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.377 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.725 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -78.9 -9.0 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.913 179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -77.52 -31.98 53.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.553 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 99' ' ' ASN . 22.6 m-70 -74.56 10.09 1.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.663 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.87 69.18 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.56 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' HIS . 21.7 t-20 -161.09 159.48 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.605 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -64.2 151.41 90.57 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -74.45 126.78 10.55 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 121.844 1.696 . . . . 1.0 111.804 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.8 tptt -68.98 144.97 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.537 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.022 -0.99 . . . . 1.0 110.511 -179.626 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.415 ' O ' ' OG1' ' B' ' 10' ' ' THR . 46.0 m-80 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.503 ' C ' ' H ' ' B' ' 12' ' ' THR . 11.3 m -167.1 -27.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.572 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 72.12 -27.91 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.986 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.503 ' H ' ' C ' ' B' ' 10' ' ' THR . 7.7 m -71.27 -70.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 1.0 110.728 -179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.5 ' O ' HD23 ' B' ' 13' ' ' LEU . 1.7 tt -48.74 -52.06 25.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.251 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' B' ' 17' ' ' THR . 32.9 mt-10 -47.33 -55.15 9.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.744 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -46.74 -41.29 14.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.759 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 -22.53 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.011 0.434 . . . . 1.0 110.493 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.421 ' N ' ' O ' ' B' ' 14' ' ' GLU . 15.5 m -85.48 -14.16 46.89 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.492 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -81.34 -34.29 31.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.755 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.473 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 13.1 pt -69.12 -37.76 77.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.753 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -67.57 -44.78 77.38 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.456 -0.498 . . . . 1.0 110.156 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -65.98 -16.68 64.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.026 0.441 . . . . 1.0 110.23 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -61.09 -47.31 86.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.769 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.571 HD12 ' N ' ' B' ' 23' ' ' LEU . 9.7 mp -49.74 164.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.059 -179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.71 -99.73 0.14 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.73 -0.948 . . . . 1.0 110.73 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.406 ' HB2' HD21 ' B' ' 27' ' ' ASN . 12.9 m-20 -72.24 114.24 10.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.277 . . . . 1.0 110.264 178.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -51.96 -16.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.397 -177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.574 HD22 ' N ' ' B' ' 28' ' ' ARG . 0.4 OUTLIER -77.97 -12.08 59.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 1.0 110.956 -179.064 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.574 ' N ' HD22 ' B' ' 27' ' ' ASN . 5.9 ptm85 -65.87 -23.27 66.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.858 -178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 91.2 mt -77.39 -49.05 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.762 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -41.33 -43.73 2.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.153 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 87.3 mt -58.89 -44.7 91.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.607 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 34.1 tpp -59.35 -29.43 67.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.553 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.428 ' O ' HG23 ' B' ' 37' ' ' VAL . 51.3 tt0 -66.24 -30.53 71.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.969 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 tp -94.15 -37.37 11.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.859 0.361 . . . . 1.0 110.499 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.9 tp -69.69 -45.38 68.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.481 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 47.6 t -58.27 -25.08 61.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.914 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 33' ' ' GLU . 99.0 t -75.66 -30.36 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.543 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 39.3 t -168.52 -119.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.64 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -170.22 162.3 8.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.829 0.347 . . . . 1.0 110.501 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.74 -177.99 6.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.53 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.524 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 3.3 p -68.52 162.97 24.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.285 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.468 HG13 ' N ' ' B' ' 43' ' ' GLY . 9.0 p -68.01 -40.33 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.116 -178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.468 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -81.46 -48.65 5.83 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.601 -0.6 . . . . 1.0 111.601 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.524 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 0.3 OUTLIER -42.78 -37.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.607 0.241 . . . . 1.0 111.328 -177.656 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.1 mt -69.74 -30.68 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.511 -0.313 . . . . 1.0 111.288 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 88.2 p -72.44 -59.1 2.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.445 -0.343 . . . . 1.0 111.4 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -68.64 -53.64 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.307 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -51.43 -48.97 62.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.925 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -75.04 11.24 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.889 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 50' ' ' ASN . 17.3 t-20 62.66 51.28 3.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.625 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 91.3 mt -126.24 153.31 44.92 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.036 0.446 . . . . 1.0 110.305 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.497 ' C ' ' H ' ' B' ' 54' ' ' SER . 36.2 p -79.37 120.0 23.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.179 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.56 1.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.425 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.497 ' H ' ' C ' ' B' ' 52' ' ' SER . 8.6 t -82.87 -25.6 32.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.692 0.282 . . . . 1.0 110.867 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -100.41 -29.02 12.63 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.512 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.678 HG13 ' N ' ' B' ' 57' ' ' SER . 10.8 p -45.27 -62.02 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.052 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.678 ' N ' HG13 ' B' ' 56' ' ' VAL . 5.7 m -43.08 -36.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 1.0 111.159 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -71.6 -31.03 66.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.95 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' B' ' 56' ' ' VAL . 25.3 mm100 -63.02 -71.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.111 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' B' ' 60' ' ' LEU . 14.1 mt -44.62 -54.27 6.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.51 -0.314 . . . . 1.0 111.168 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -41.71 -56.69 2.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 1.0 111.104 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.408 ' C ' HD23 ' B' ' 62' ' ' LEU . 1.1 tt -54.25 -67.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.343 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 17.7 mt -45.75 -51.04 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.065 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -46.59 -69.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.044 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.444 ' C ' ' N ' ' B' ' 67' ' ' HIS . 52.1 p -43.83 -55.09 4.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.279 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.401 HG12 ' O ' ' B' ' 66' ' ' VAL . 26.6 t -53.02 -8.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.718 -177.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.444 ' N ' ' C ' ' B' ' 65' ' ' SER . 18.1 t60 71.43 18.5 5.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.451 177.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mt -77.06 -15.85 59.45 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.895 -0.409 . . . . 1.0 109.895 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 34.4 m -145.72 135.09 17.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.26 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -96.48 156.74 16.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.205 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.65 160.37 17.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.467 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.89 118.04 12.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.862 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.528 ' O ' ' NE ' ' B' ' 73' ' ' ARG . 3.0 tmm_? -109.08 81.13 1.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.123 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' B' ' 75' ' ' GLY . 12.9 tm0? -106.37 96.51 6.52 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 108.568 -0.901 . . . . 1.0 108.568 176.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' B' ' 74' ' ' GLN . . . 61.72 125.4 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 109.733 -1.347 . . . . 1.0 109.733 -175.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' B' ' 75' ' ' GLY . 9.3 tt0 -29.23 95.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.436 0.532 . . . . 1.0 112.436 -176.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -178.05 111.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.208 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.7 mpt? -59.42 106.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.041 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 93.3 mt -134.21 118.87 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 110.009 -0.367 . . . . 1.0 110.009 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -99.64 139.61 35.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.713 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -155.48 158.83 39.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.709 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 82' ' ' LEU . 7.1 mp -81.79 -173.2 4.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.247 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -161.27 -47.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.515 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' B' ' 85' ' ' ILE . 48.8 t0 -52.66 157.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.55 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.459 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 17.6 pt -110.72 -8.65 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.195 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -79.39 -41.74 27.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.797 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.01 -52.83 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.767 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.65 -48.78 66.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.057 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 36.9 p -74.35 -52.68 11.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.873 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 25.1 ttt -40.44 -40.64 1.25 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.481 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -70.76 -53.23 16.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 1.0 110.455 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.526 ' O ' ' CD2' ' B' ' 96' ' ' HIS . 53.7 mttp -54.49 -45.38 73.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.748 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -52.96 -37.77 61.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.872 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.74 -46.54 62.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.962 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.47 ' O ' HG22 ' B' ' 95' ' ' ILE . 92.7 mt -78.48 -8.46 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.951 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' B' ' 92' ' ' LYS . 21.2 m170 -82.15 -37.04 26.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 1.0 110.325 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.458 ' C ' ' H ' ' B' ' 99' ' ' ASN . 35.3 m80 -47.19 -38.01 11.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.527 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' B' ' 99' ' ' ASN . . . 58.68 4.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.635 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' B' ' 97' ' ' HIS . 36.4 t30 60.54 141.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.784 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.4 t60 50.41 67.74 4.08 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.762 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.25 175.77 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.67 2.247 . . . . 1.0 112.123 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -55.25 -175.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.467 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . 0.416 ' CD ' ' N ' ' B' ' 103' ' ' GLU . 30.4 mp0 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.986 -1.007 . . . . 1.0 110.559 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.499 HD22 ' C ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 12' ' ' THR . 0.2 OUTLIER -176.29 -31.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.465 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -63.83 -1.09 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.634 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.422 ' H ' ' C ' ' A' ' 10' ' ' THR . 29.5 p -80.72 -63.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.701 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' O ' ' OG1' ' A' ' 17' ' ' THR . 13.9 mt -72.56 -36.31 68.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.801 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.86 -54.0 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.959 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -47.4 -52.3 17.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.961 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.36 -10.78 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.23 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 13' ' ' LEU . 6.4 m -70.75 -22.32 62.42 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.159 -0.617 . . . . 1.0 109.857 178.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -86.89 -56.23 3.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.826 -0.625 . . . . 1.0 111.409 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.56 HG23 ' N ' ' A' ' 20' ' ' PHE . 13.4 tt -46.89 -48.77 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.854 -0.338 . . . . 1.0 111.541 -175.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' N ' HG23 ' A' ' 19' ' ' ILE . 49.1 m-85 -69.92 -40.62 75.44 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.683 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -71.05 -7.32 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 1.0 110.606 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' C ' ' H ' ' A' ' 24' ' ' GLY . . . -84.83 -41.98 15.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.365 -179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.497 HD12 ' C ' ' A' ' 23' ' ' LEU . 1.8 pp -72.78 25.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.903 -0.319 . . . . 1.0 111.457 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 22' ' ' ALA . . . -65.72 67.79 0.12 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.217 -0.753 . . . . 1.0 111.217 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.52 ' OD2' ' N ' ' A' ' 28' ' ' ARG . 26.0 t70 -173.58 86.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.83 0.348 . . . . 1.0 110.38 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -55.44 -18.05 6.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.246 -178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -82.19 -17.29 46.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 1.0 110.779 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.52 ' N ' ' OD2' ' A' ' 25' ' ' ASP . 20.2 tpt180 -68.07 -55.8 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.988 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 30' ' ' ARG . 20.5 tt -43.24 -49.03 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.192 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.596 ' N ' HG23 ' A' ' 29' ' ' ILE . 75.0 ttt180 -46.02 -37.27 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 1.0 110.631 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 34' ' ' LEU . 27.7 mt -75.54 -55.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.559 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 70.0 mtp -45.99 -38.08 7.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.634 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -68.32 -33.68 74.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.573 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -78.42 -42.8 29.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 1.0 109.966 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.489 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -66.93 -16.35 64.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.221 0.534 . . . . 1.0 109.817 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' HG13 ' A' ' 37' ' ' VAL . 71.9 m -71.27 -15.81 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 36' ' ' SER . 8.7 m -156.1 65.96 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.862 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -155.74 -65.08 0.12 Allowed 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.968 -0.293 . . . . 1.0 111.609 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 61.51 103.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.762 -0.459 . . . . 1.0 109.762 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.73 -176.34 5.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.906 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -68.75 173.72 4.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.322 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 43' ' ' GLY . 7.3 p -78.41 -41.18 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.885 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.488 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -79.22 -46.39 8.21 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.168 -0.773 . . . . 1.0 111.168 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -46.79 -62.19 1.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.921 0.391 . . . . 1.0 110.704 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.2 tt -53.44 -30.61 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.395 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.7 t -75.69 -40.15 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.777 -0.369 . . . . 1.0 111.425 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -59.82 -57.81 11.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.889 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.5 -42.55 99.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.46 -0.336 . . . . 1.0 111.462 -175.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.9 mp -66.89 -1.87 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.505 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 58.58 65.73 1.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.91 -0.316 . . . . 1.0 110.982 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.8 mt -137.57 151.48 48.41 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.015 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 t -76.61 109.64 10.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.214 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -41.82 -52.52 3.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.917 0.389 . . . . 1.0 111.325 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.516 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 36.3 p -42.98 -45.66 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.033 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -71.2 -37.15 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.63 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' GLN . 64.5 t -60.94 -71.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.754 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.2 t -45.25 -37.2 4.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.814 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' SER . 52.8 m170 -73.7 -24.38 59.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.566 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 56' ' ' VAL . 66.3 tp60 -70.37 -48.14 57.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.504 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.34 -41.8 97.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.524 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -45.98 -66.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.662 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.6 tp -49.08 -69.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.393 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tp -45.07 -45.97 11.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.413 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -47.0 -54.4 10.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 1.0 111.161 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 40.7 t -56.52 -17.86 9.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.321 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 4.2 t -81.27 -9.73 12.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.692 -0.231 . . . . 1.0 110.863 -178.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 65' ' ' SER . 1.2 m170 75.0 19.38 2.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.6 -0.273 . . . . 1.0 111.706 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.8 mt -92.39 -2.71 56.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.561 0.219 . . . . 1.0 110.962 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -154.55 149.41 12.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.954 0.407 . . . . 1.0 110.664 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -114.45 -165.26 1.0 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.028 -0.533 . . . . 1.0 109.913 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.91 125.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.998 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -88.02 132.54 34.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.41 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -78.42 118.86 20.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.854 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -138.2 118.88 14.02 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.135 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.2 -143.77 15.03 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.618 -0.993 . . . . 1.0 110.618 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.618 ' NE2' ' H ' ' A' ' 76' ' ' GLN . 3.2 mp0 -76.04 -30.62 58.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.665 0.269 . . . . 1.0 110.917 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.6 t -88.77 -168.24 2.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.888 0.375 . . . . 1.0 110.899 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.572 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -158.19 123.92 4.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.741 179.569 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.742 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.6 mp -89.36 117.65 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.132 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -76.27 155.86 33.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.531 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.2 t -170.29 155.35 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.68 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.2 mt -70.53 -149.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.354 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.489 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 4.8 p-10 -171.87 -67.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.471 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.489 ' H ' ' CG ' ' A' ' 83' ' ' ASP . 12.0 m-20 -78.36 108.15 11.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.507 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.6 pt -71.01 8.97 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.549 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.443 ' H ' ' C ' ' A' ' 84' ' ' ASP . 1.2 t-80 -57.92 -64.91 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.674 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 88' ' ' ALA . 27.0 m -64.55 -45.61 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.883 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.505 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -43.63 -48.36 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 1.0 110.936 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.3 p -76.53 -12.79 60.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.807 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' VAL . 12.6 tpt -79.54 -33.62 41.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.032 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 91' ' ' LEU . 11.3 mp -70.21 -49.94 45.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.726 -0.472 . . . . 1.0 109.726 178.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -54.22 -42.94 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.553 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.0 -26.61 66.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.473 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.8 -52.29 15.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.698 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.657 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.5 mp -71.76 -8.75 11.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.9 -55.84 5.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.497 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -77.19 -0.39 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.488 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.74 55.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.515 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -88.11 -3.68 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.335 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -50.9 -63.71 1.75 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.461 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -62.8 135.5 52.43 Favored 'Trans proline' 0 C--N 1.309 -1.533 0 C-N-CA 121.801 1.667 . . . . 1.0 111.676 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 41.5 tttm -163.38 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.514 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.206 179.755 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.352 -0.611 . . . . 1.0 109.352 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 76.3 m -160.42 -39.27 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.512 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.15 6.39 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.669 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 64.5 m -67.43 -60.54 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.292 -177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.571 ' H ' HD23 ' B' ' 13' ' ' LEU . 0.5 OUTLIER -92.42 -8.45 44.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.613 0.244 . . . . 1.0 110.825 -179.347 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -58.11 -38.38 76.35 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.666 -0.413 . . . . 1.0 110.285 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -52.35 -58.76 5.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.659 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.4 HG12 ' H ' ' B' ' 16' ' ' VAL . 3.7 p -66.32 -16.01 20.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.597 -179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.8 m -79.35 -19.41 50.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 1.0 110.544 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -80.15 -42.56 23.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.094 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 pt -64.63 -35.15 73.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.144 -177.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -65.51 -43.76 89.08 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.197 -0.601 . . . . 1.0 109.516 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -45.38 -45.57 12.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.766 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.4 -29.69 70.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.747 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.599 HD23 ' N ' ' B' ' 24' ' ' GLY . 1.4 tt -58.07 140.12 53.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 1.0 109.888 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.599 ' N ' HD23 ' B' ' 23' ' ' LEU . . . 156.11 179.88 31.49 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 60.13 85.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.711 0.291 . . . . 1.0 110.81 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -42.02 -28.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.485 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -63.96 -9.17 14.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.722 0.296 . . . . 1.0 111.308 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.633 ' HE ' HD22 ' B' ' 63' ' ' LEU . 72.1 ttt-85 -64.52 -68.74 0.33 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.059 -178.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 79.3 mt -42.65 -50.4 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.103 -178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -40.08 -69.74 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.444 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 pt -68.9 -39.94 80.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.19 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.542 ' SD ' ' NH1' ' B' ' 28' ' ' ARG . 8.6 ttt -54.76 -38.85 67.7 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.781 -0.368 . . . . 1.0 110.589 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -65.46 -64.01 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.706 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 tp -58.16 -31.99 67.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.805 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.9 tp -69.09 -16.5 63.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 1.0 110.344 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.7 m -70.26 -15.25 62.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.434 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 6.4 m -153.81 64.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.256 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 34.9 p -163.69 -173.43 3.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.676 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -174.96 117.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.23 -177.71 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.62 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 20.7 m -71.58 172.82 8.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.078 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.5 m -78.7 -31.4 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.663 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.81 -57.67 2.25 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.192 -0.763 . . . . 1.0 111.192 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -43.05 -52.01 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 1.0 111.1 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 16.2 tt -51.78 -32.42 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.888 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.6 t -71.49 -70.62 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.086 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -45.05 -48.13 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.914 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -53.4 -59.41 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.111 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.1 mt -74.33 9.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.034 -178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.504 ' N ' ' OD1' ' B' ' 50' ' ' ASN . 0.8 OUTLIER 61.71 64.87 0.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.695 0.283 . . . . 1.0 111.064 179.142 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 30.8 mt -133.76 144.37 49.02 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.904 -0.406 . . . . 1.0 109.904 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.487 ' C ' ' H ' ' B' ' 54' ' ' SER . 32.3 t -79.29 117.21 20.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.589 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -58.57 -0.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.296 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.487 ' H ' ' C ' ' B' ' 52' ' ' SER . 14.0 t -73.2 -44.54 59.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 1.0 110.478 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' B' ' 59' ' ' GLN . 62.6 t30 -85.36 -33.61 21.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.88 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' B' ' 59' ' ' GLN . 94.7 t -42.91 -77.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.468 -0.333 . . . . 1.0 111.115 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.9 t -39.28 -40.4 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.536 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -79.07 -27.24 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.677 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.6 OUTLIER -67.59 -50.63 57.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.696 -178.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.93 -48.14 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.807 0.337 . . . . 1.0 110.498 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -43.24 -48.29 6.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.784 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.463 ' C ' HD23 ' B' ' 62' ' ' LEU . 1.8 tt -54.99 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.057 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.633 HD22 ' HE ' ' B' ' 28' ' ' ARG . 28.7 mt -42.32 -52.8 4.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -44.35 -64.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.126 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.9 m -50.07 -34.72 22.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.333 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.459 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 26.5 t -77.69 -4.8 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.8 -177.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.459 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 4.3 m80 76.28 19.94 1.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.867 176.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 43.3 mt -85.41 -19.36 31.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.601 0.238 . . . . 1.0 110.632 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 18.5 m -149.47 143.54 18.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.522 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -106.84 -166.06 1.13 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.154 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -166.86 170.03 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.616 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -150.18 139.79 21.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.367 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -83.18 115.64 22.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.63 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.518 ' O ' ' N ' ' B' ' 76' ' ' GLN . 17.8 tt0 -140.79 139.86 34.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.378 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.88 -79.29 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' B' ' 74' ' ' GLN . 1.6 pm0 -159.4 -41.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.479 ' O ' ' SD ' ' B' ' 78' ' ' MET . 18.8 p -64.69 -167.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.912 177.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.479 ' SD ' ' O ' ' B' ' 77' ' ' SER . 10.9 mmt -139.57 105.02 5.07 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.944 -0.391 . . . . 1.0 109.944 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.717 HD12 ' N ' ' B' ' 79' ' ' ILE . 1.6 mp -79.23 112.07 16.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.222 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -81.17 142.43 33.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.373 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 15.3 t -164.33 123.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.649 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.506 ' H ' ' CD2' ' B' ' 82' ' ' LEU . 0.7 OUTLIER -74.32 -167.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.611 179.773 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -151.43 -31.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.595 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -70.43 82.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.367 . . . . 1.0 110.473 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 26.2 pt -75.39 2.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.451 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -79.07 -54.03 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.648 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.406 ' H ' HG22 ' B' ' 87' ' ' VAL . 10.5 m -62.04 -30.11 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.705 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.53 -49.95 66.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.498 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 49.3 p -67.63 -46.48 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.723 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 62.4 mtt -45.61 -31.85 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.626 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' B' ' 94' ' ' ALA . 15.1 tp -78.97 -61.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.184 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -45.83 -34.76 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.591 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -70.78 -30.14 66.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.462 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -70.96 -38.93 72.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.628 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.8 mm -78.27 -9.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.859 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -88.75 -35.57 16.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.737 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -52.53 -33.28 44.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.69 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.2 -13.16 61.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.704 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.638 HD22 ' N ' ' B' ' 100' ' ' HIS . 0.5 OUTLIER -52.34 114.23 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.9 -179.302 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.692 ' H ' ' CD ' ' B' ' 101' ' ' PRO . 11.7 t60 -173.07 -36.32 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.465 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.692 ' CD ' ' H ' ' B' ' 100' ' ' HIS . 24.0 Cg_exo -66.39 33.38 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 121.816 1.677 . . . . 1.0 112.249 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' B' ' 100' ' ' HIS . 54.2 tttp -164.91 91.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 1.0 110.702 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 117.978 -1.011 . . . . 1.0 110.56 179.75 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.2 m120 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.1 p -75.95 57.48 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.6 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -161.17 -32.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.367 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.0 m -85.19 -50.55 7.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.166 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 mt -87.53 -7.03 58.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.133 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.67 -38.38 72.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.932 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -76.22 -48.07 21.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.97 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 t -67.83 -22.35 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 1.0 110.48 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.4 m -75.19 -30.4 60.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.369 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.8 -27.52 63.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.543 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.5 mt -64.55 -57.41 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.46 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 23' ' ' LEU . 63.8 m-85 -52.08 -41.54 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.929 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' NZ ' ' CE2' ' B' ' 26' ' ' TYR . 91.9 mttt -81.47 0.51 37.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.976 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.67 -57.33 11.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.346 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -62.34 -167.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.75 -0.38 . . . . 1.0 110.853 -177.54 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -169.86 -108.51 0.21 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.806 -0.917 . . . . 1.0 110.806 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.92 112.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.803 0.335 . . . . 1.0 110.419 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.46 ' C ' ' H ' ' A' ' 28' ' ' ARG . 14.2 m-85 -39.46 -34.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.773 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.518 ' ND2' ' OE1' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -59.89 -1.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.864 -0.335 . . . . 1.0 110.881 -179.205 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' CZ ' ' SD ' ' A' ' 32' ' ' MET . 4.3 tmt_? -58.89 -49.46 77.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.344 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.37 -45.05 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.764 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -52.44 -72.64 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.538 HG23 ' N ' ' A' ' 32' ' ' MET . 21.2 tt -51.85 -43.57 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.952 -178.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.538 ' N ' HG23 ' A' ' 31' ' ' ILE . 28.0 ttt -63.26 -19.55 64.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.853 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -69.19 -70.6 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.084 -178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 tp -52.76 -30.94 35.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.63 -177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.524 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -64.85 -28.27 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.576 -0.528 . . . . 1.0 109.576 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -50.98 -16.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.193 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 37' ' ' VAL . 6.4 p -163.91 73.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.625 0.726 . . . . 1.0 110.393 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 m -171.72 165.11 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.511 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -155.08 121.05 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.165 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.96 -177.64 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.701 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 m -80.32 -170.9 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.335 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.27 -44.9 24.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.48 -26.91 68.75 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.75 -30.72 70.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 1.0 110.375 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 11.4 mm -61.79 -28.98 45.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.853 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 50' ' ' ASN . 13.4 t -71.35 -69.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.082 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 -54.44 -50.28 68.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.994 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -40.04 -66.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.48 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.61 23.54 12.62 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.583 0.216 . . . . 1.0 111.583 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 46' ' ' SER . 47.9 t-20 57.73 96.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.299 177.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 46' ' ' SER . 58.0 tp -164.38 152.23 12.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.951 177.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 54' ' ' SER . 23.8 p -78.9 107.45 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.653 0.263 . . . . 1.0 110.662 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.14 0.65 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.718 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 52' ' ' SER . 10.5 m -73.11 -48.03 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.621 ' ND2' ' N ' ' A' ' 56' ' ' VAL . 0.4 OUTLIER -80.74 -30.47 36.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.727 -179.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.621 ' N ' ' ND2' ' A' ' 55' ' ' ASN . 84.9 t -46.55 -75.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.614 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -43.34 -41.84 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.966 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.414 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 58.8 t-80 -70.53 -24.12 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.749 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.518 ' OE1' ' ND2' ' A' ' 27' ' ' ASN . 15.9 tt0 -79.34 -38.55 34.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.392 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.92 -47.76 81.85 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.029 -0.269 . . . . 1.0 111.203 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' NZ ' ' CB ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -44.75 -41.94 7.31 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.924 -0.31 . . . . 1.0 110.603 -178.342 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.3 tp -59.76 -70.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.051 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 21.7 mt -41.67 -54.66 3.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.987 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -51.06 -49.89 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.169 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -57.62 -34.76 69.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.253 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 66' ' ' VAL . 25.4 t -77.79 -1.5 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 121.085 -0.246 . . . . 1.0 110.845 -177.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 t60 74.46 22.68 2.08 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.971 0.359 . . . . 1.0 111.971 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.2 mt -94.34 -14.22 25.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.553 0.215 . . . . 1.0 110.864 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.5 t -149.0 139.19 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.932 0.396 . . . . 1.0 110.719 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -110.07 -178.28 3.48 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.205 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -168.85 172.38 7.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.4 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -155.34 153.75 30.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.816 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -104.4 118.38 36.47 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.9 -0.591 . . . . 1.0 109.888 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -160.81 59.24 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.422 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.48 72.91 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.072 -1.211 . . . . 1.0 110.072 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 54.17 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 1.0 110.238 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -63.88 161.26 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.945 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.59 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -112.33 128.94 56.43 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.985 -0.376 . . . . 1.0 109.985 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.8 mt -86.44 124.19 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.46 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -83.99 150.73 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.693 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.8 t -157.06 148.23 21.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.653 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.2 mt -67.94 -156.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.547 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 2.6 p-10 -165.92 -69.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.633 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 22.2 p-10 -70.81 100.18 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.678 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.8 pt -68.68 9.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.669 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' A' ' 84' ' ' ASP . 60.0 t60 -76.04 -26.93 57.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.725 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -78.74 -32.72 16.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.729 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.67 -53.51 18.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.773 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.587 HG23 ' N ' ' A' ' 90' ' ' MET . 6.3 t -71.98 -51.21 23.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.702 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.587 ' N ' HG23 ' A' ' 89' ' ' THR . 28.3 ttt -39.14 -41.92 0.88 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.44 -0.346 . . . . 1.0 111.633 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.77 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 1.0 110.481 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 96' ' ' HIS . 44.6 tttp -49.47 -38.11 28.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.255 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -75.65 -42.19 52.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 1.0 111.268 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.77 -34.51 71.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.24 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.3 tt -80.77 -10.06 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.939 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 92' ' ' LYS . 28.7 m170 -74.69 -60.06 2.45 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.676 -0.49 . . . . 1.0 109.676 176.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' ASN . 65.5 t-80 -79.41 -48.33 14.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.494 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 61.73 -72.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.792 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' HIS . 43.9 p-10 -173.89 -141.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 1.0 109.884 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.533 ' N ' ' ND1' ' A' ' 100' ' ' HIS . 0.6 OUTLIER -86.07 136.93 35.53 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 109.912 -0.403 . . . . 1.0 109.912 178.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -81.09 132.74 8.53 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.657 1.571 . . . . 1.0 112.11 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -80.59 132.11 35.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.377 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.973 -1.013 . . . . 1.0 110.561 -179.582 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.448 ' N ' ' OD1' ' B' ' 9' ' ' ASN . 1.4 m-20 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 41.2 p -138.98 154.29 48.26 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.531 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -155.04 -40.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.738 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.0 m -66.62 -59.85 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.306 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.9 mt -65.54 -30.64 71.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.345 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -58.01 -25.95 61.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.611 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -60.74 -66.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.424 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.405 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 12.1 m -57.91 -14.07 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.607 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -82.24 -18.09 43.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.461 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -77.48 -36.49 52.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.842 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.2 pt -69.16 -37.5 76.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.237 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 59.9 m-85 -71.39 -39.7 71.0 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.243 -0.583 . . . . 1.0 110.36 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -69.0 -8.14 42.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.664 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.77 -51.82 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.958 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 30.9 mt -51.98 156.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.958 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' B' ' 25' ' ' ASP . . . -169.82 163.51 36.97 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.628 -0.989 . . . . 1.0 110.628 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 24' ' ' GLY . 42.4 m-20 48.81 -179.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 1.0 110.564 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 7.0 m-85 -99.69 -53.22 3.25 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.725 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.516 ' O ' ' ND2' ' B' ' 27' ' ' ASN . 3.3 t30 -69.91 2.62 3.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.615 -176.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -60.26 -49.72 76.5 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.754 -0.378 . . . . 1.0 110.988 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.536 HG23 ' N ' ' B' ' 30' ' ' ARG . 19.9 tt -67.56 -43.51 87.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.983 -178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.536 ' N ' HG23 ' B' ' 29' ' ' ILE . 82.9 mtp180 -46.1 -32.09 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.805 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.414 ' CD1' ' OE1' ' B' ' 59' ' ' GLN . 96.0 mt -63.23 -61.6 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 1.0 110.487 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 49.0 mtt -49.61 -29.53 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.851 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.9 -30.44 58.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.857 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tp -76.24 -40.41 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.62 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 mt -72.22 -20.53 61.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.553 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.449 ' O ' HG13 ' B' ' 37' ' ' VAL . 20.3 t -60.57 -19.99 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.395 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.449 HG13 ' O ' ' B' ' 36' ' ' SER . 13.3 m -157.15 58.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.259 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 5.1 m -167.23 171.75 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.604 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -156.08 122.07 5.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.171 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.07 179.11 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.668 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.9 t -77.93 -179.62 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.318 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.403 HG23 ' N ' ' B' ' 43' ' ' GLY . 14.4 m -79.13 -35.49 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.6 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.403 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -79.01 -46.76 8.08 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -47.09 -69.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 1.0 110.523 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 13.3 tt -44.72 -36.09 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.5 t -71.46 -48.36 49.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.071 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.411 ' C ' ' ND1' ' B' ' 47' ' ' HIS . 18.3 t-80 -74.57 -50.73 16.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.804 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -54.71 -49.81 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.098 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 tp -74.77 10.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.012 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 61.74 52.39 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.553 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -124.16 148.42 47.24 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 110.014 -0.365 . . . . 1.0 110.014 176.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.485 ' C ' ' H ' ' B' ' 54' ' ' SER . 14.9 t -77.32 118.06 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.313 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -54.98 -4.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.416 -0.357 . . . . 1.0 111.255 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.485 ' H ' ' C ' ' B' ' 52' ' ' SER . 12.3 t -83.69 -11.59 57.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.815 0.34 . . . . 1.0 110.589 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -102.38 -50.27 3.65 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.108 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.768 HG13 ' H ' ' B' ' 57' ' ' SER . 8.8 p -49.48 -64.93 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.958 -176.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.768 ' H ' HG13 ' B' ' 56' ' ' VAL . 79.6 p -42.28 -51.2 4.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.831 0.348 . . . . 1.0 111.1 -178.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.462 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 22.6 t-80 -66.97 -25.93 66.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.603 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' B' ' 56' ' ' VAL . 42.1 tt0 -69.67 -55.68 9.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.166 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 44.2 mt -51.36 -41.86 60.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 1.0 110.92 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -43.11 -59.13 2.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.066 -178.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.486 ' C ' HD23 ' B' ' 62' ' ' LEU . 3.6 tt -59.94 -72.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.488 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.55 ' CD1' ' H ' ' B' ' 63' ' ' LEU . 10.1 mp -37.94 -56.28 1.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.362 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -44.98 -36.47 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 1.0 111.087 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.514 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 25.8 p -75.58 -25.87 57.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.066 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.425 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 3.9 t -77.91 -7.51 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.936 -178.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' B' ' 65' ' ' SER . 6.8 m-70 73.45 19.71 3.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.566 0.222 . . . . 1.0 111.483 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 35.1 mt -92.98 -11.11 34.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.648 -0.251 . . . . 1.0 110.756 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 23.3 m -149.48 143.92 18.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.891 0.377 . . . . 1.0 110.74 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -121.3 -163.74 1.07 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.101 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.03 177.76 4.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 1.0 111.094 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -154.93 149.15 26.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.349 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -79.21 110.53 14.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.815 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' B' ' 75' ' ' GLY . 0.5 OUTLIER -122.34 89.64 3.15 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.157 -0.474 . . . . 1.0 109.956 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 52.72 109.5 0.01 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.199 -0.76 . . . . 1.0 111.199 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.467 ' CD ' ' N ' ' B' ' 77' ' ' SER . 3.7 tm0? 53.38 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 1.0 110.976 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 75' ' ' GLY . 97.1 p -66.65 -168.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.777 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 22.3 mtt -146.97 119.96 8.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.068 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 91.2 mt -82.25 120.09 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.786 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -82.11 151.64 26.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.424 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.7 p -170.21 159.1 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tp -65.45 -157.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -173.93 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.799 0.333 . . . . 1.0 110.797 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.23 110.19 13.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.937 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.46 -24.47 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.529 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -61.07 -63.66 1.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.607 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 90.1 t -54.15 -52.15 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.483 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.39 -49.82 6.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.935 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.9 m -70.79 -31.31 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.877 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.1 tpt -51.96 -32.78 34.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.765 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.524 ' N ' HD12 ' B' ' 91' ' ' LEU . 10.3 mp -76.79 -50.6 13.13 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' B' ' 96' ' ' HIS . 31.5 mmtm -44.83 -45.47 10.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.633 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -67.75 -28.81 67.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.54 -53.93 16.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.127 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.654 HD12 ' N ' ' B' ' 95' ' ' ILE . 1.6 mp -69.05 -7.27 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' B' ' 92' ' ' LYS . 40.0 m170 -84.96 -33.97 22.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.332 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.469 ' C ' ' H ' ' B' ' 99' ' ' ASN . 76.9 t60 -45.38 -26.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.736 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.57 39.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.424 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.469 ' H ' ' C ' ' B' ' 97' ' ' HIS . 31.9 m120 -50.26 -91.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.853 -179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -51.54 139.26 28.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.102 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.89 129.9 9.26 Favored 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 121.612 1.541 . . . . 1.0 112.005 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 52.7 mttm 44.95 -117.71 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.706 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.971 -1.014 . . . . 1.0 110.371 -179.458 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.471 ' C ' ' H ' ' A' ' 11' ' ' ASP . 29.4 t30 . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.376 -0.602 . . . . 1.0 109.376 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 10' ' ' THR . 1.4 t -72.75 20.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.931 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 9' ' ' ASN . 62.0 t0 -172.49 -39.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.65 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.422 ' HG1' ' N ' ' A' ' 9' ' ' ASN . 30.5 p -65.68 -58.84 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.692 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tp -65.11 -36.13 83.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.534 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -55.58 -35.87 66.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.979 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -72.87 -43.82 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.402 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.6 -23.7 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.717 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 p -82.3 -21.06 36.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.309 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -78.23 -22.25 48.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.6 mt -78.51 -68.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.656 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -53.26 -36.93 61.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.869 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -70.86 -19.5 62.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.631 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.9 25.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.405 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 23' ' ' LEU . 9.9 mp -63.38 175.02 1.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.107 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.73 -117.27 0.69 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.09 149.7 49.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.734 0.302 . . . . 1.0 110.672 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -51.2 -20.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.862 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 1.4 m120 -78.43 -19.61 52.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.994 -178.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.432 ' O ' HG22 ' A' ' 31' ' ' ILE . 24.9 mmt180 -58.14 -71.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.027 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.522 HG23 ' N ' ' A' ' 30' ' ' ARG . 19.2 tt -39.54 -43.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.87 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' N ' HG23 ' A' ' 29' ' ' ILE . 94.4 mtt-85 -46.91 -14.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 1.0 111.092 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' ILE . 4.1 tp -71.96 -36.69 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 1.0 110.456 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 43.4 ttm -74.74 -39.51 61.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.868 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -51.27 -48.7 62.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.994 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.4 tp -78.64 -40.81 33.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.786 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 49.9 tp -66.79 -26.08 66.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.659 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.9 p -70.01 -17.76 63.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.704 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.413 ' O ' ' OG ' ' A' ' 38' ' ' SER . 63.4 t -84.83 -46.6 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.881 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 12.9 m -167.4 -147.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.821 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -138.67 159.53 41.87 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.227 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.92 -179.56 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.733 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.6 t -73.02 171.9 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.576 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -69.4 -45.41 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.856 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.19 -47.88 42.2 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -45.08 -27.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 1.0 110.684 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.3 mt -81.88 -38.43 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 t -70.76 -55.58 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.176 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -61.07 -53.51 56.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.48 -177.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' A' ' 50' ' ' ASN . 7.0 tt0 -67.71 -68.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.294 -177.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -55.07 -6.04 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.299 -177.689 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.474 ' H ' ' C ' ' A' ' 48' ' ' GLN . 19.7 t30 61.54 66.56 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.792 0.329 . . . . 1.0 110.926 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.0 mt -139.35 151.67 46.55 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.841 -0.429 . . . . 1.0 109.841 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 54' ' ' SER . 58.8 m -77.81 114.11 16.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.638 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 1.7 pm0 -55.89 -5.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.904 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 52' ' ' SER . 74.1 m -76.97 -38.43 53.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.242 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.423 ' O ' ' N ' ' A' ' 59' ' ' GLN . 2.1 m-20 -82.54 -33.55 28.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.486 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 59' ' ' GLN . 99.5 t -46.71 -69.01 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.631 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -42.61 -39.93 2.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.073 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -75.43 -31.6 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.156 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 56' ' ' VAL . 8.9 tt0 -63.26 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.561 . . . . 1.0 111.005 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 13.3 mt -50.18 -45.05 53.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.886 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -46.68 -64.57 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.462 -0.336 . . . . 1.0 110.669 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.2 tp -40.98 -69.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.088 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.5 mp -46.77 -44.74 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.448 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' NZ ' ' CB ' ' A' ' 64' ' ' LYS . 2.6 ttmp? -63.29 -41.31 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.68 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 p -67.75 -21.89 65.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.422 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.512 ' O ' HG12 ' A' ' 66' ' ' VAL . 71.8 t -81.0 -4.74 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.461 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 t60 74.23 16.25 3.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.49 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.457 HD23 ' C ' ' A' ' 68' ' ' LEU . 1.8 tt -82.99 -77.27 0.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.119 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.63 162.34 3.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.88 0.372 . . . . 1.0 110.79 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -133.41 177.57 7.58 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.823 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -160.93 121.37 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.968 0.413 . . . . 1.0 111.146 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -87.23 156.73 19.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.194 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -118.79 118.67 32.22 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.276 -0.42 . . . . 1.0 109.947 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -161.08 73.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.076 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 125.0 87.14 0.7 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.105 -0.798 . . . . 1.0 111.105 178.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.448 ' N ' ' CD ' ' A' ' 76' ' ' GLN . 26.7 mp0 50.56 -88.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 1.0 110.817 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' GLY . 66.9 m -70.91 -167.41 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.569 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.7 mtt -129.86 176.47 8.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.834 -0.432 . . . . 1.0 109.834 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mt -142.91 105.07 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-O 120.933 0.397 . . . . 1.0 110.531 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -67.45 146.09 54.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.652 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -160.73 147.09 15.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.005 0.431 . . . . 1.0 111.234 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -89.62 95.82 10.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.67 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -63.37 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.869 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -42.87 100.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.129 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 85' ' ' ILE . 20.1 pt -77.46 0.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.664 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -73.29 -38.31 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.698 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.2 t -71.51 -34.65 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.686 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.84 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.632 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 m -80.54 -59.36 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.801 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 26.2 ttt -45.21 -36.96 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.245 -178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.9 tp -74.76 -32.67 62.13 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.819 -0.352 . . . . 1.0 110.525 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -66.28 -60.21 2.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.699 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.26 -28.01 10.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.777 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.36 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.573 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 95' ' ' ILE . 73.7 mt -79.6 -7.21 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.507 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.481 ' C ' ' H ' ' A' ' 98' ' ' ALA . 36.1 t-80 -77.95 -38.94 44.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.675 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.506 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 18.8 t-160 -70.08 10.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.6 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.481 ' H ' ' C ' ' A' ' 96' ' ' HIS . . . -80.95 46.44 0.9 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.685 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -76.44 -165.27 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.742 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.432 ' CG ' ' O ' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -170.06 60.75 0.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.607 -179.433 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.94 -168.67 0.61 Allowed 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.717 2.278 . . . . 1.0 112.054 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.482 ' N ' ' CD ' ' A' ' 102' ' ' LYS . 2.4 mptp? -62.07 103.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.2 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.039 -0.981 . . . . 1.0 110.558 -179.753 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 m120 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.349 -0.612 . . . . 1.0 109.349 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.9 p -61.18 -145.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.632 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -164.88 -28.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.705 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 66.7 p -70.14 -61.05 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.842 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.435 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -47.9 -55.3 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.404 -178.72 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -51.7 -38.93 57.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.874 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -59.38 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.498 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 4.0 t -62.72 -22.32 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.493 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.7 m -74.55 -20.42 59.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.285 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -77.47 -35.03 54.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.426 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 33.3 mt -59.01 -63.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.342 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -52.9 -42.55 65.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.616 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -60.19 -40.97 91.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.004 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.533 ' C ' ' H ' ' B' ' 24' ' ' GLY . . . -42.35 -44.78 4.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.667 0.27 . . . . 1.0 111.106 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.567 HD12 ' N ' ' B' ' 23' ' ' LEU . 8.7 mp -66.76 27.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.645 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' B' ' 22' ' ' ALA . . . -47.33 -49.28 20.02 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.821 -0.911 . . . . 1.0 110.821 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.415 ' OD2' ' OE1' ' B' ' 59' ' ' GLN . 1.0 OUTLIER -76.36 166.49 23.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 1.0 110.457 179.782 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.424 ' C ' ' H ' ' B' ' 28' ' ' ARG . 88.8 m-85 -100.07 -53.97 3.01 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.546 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -64.79 3.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.701 . . . . 1.0 111.473 -177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.519 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 29.2 ttm180 -58.96 -44.43 91.48 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.688 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 74.0 mt -65.65 -48.92 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.768 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -46.24 -48.04 17.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.602 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 71.4 mt -76.68 -58.18 4.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.792 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' B' ' 32' ' ' MET . 1.7 tmt? -45.55 -35.17 3.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.763 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -63.35 -67.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.848 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.521 ' O ' HD23 ' B' ' 34' ' ' LEU . 0.8 OUTLIER -53.16 -32.91 50.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.145 0.497 . . . . 1.0 110.276 -178.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.8 OUTLIER -70.71 -44.85 66.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.401 -179.381 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 49.5 m -40.45 -21.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.727 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.525 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.2 p -158.43 72.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.789 0.804 . . . . 1.0 110.667 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.401 ' OG ' ' N ' ' B' ' 39' ' ' GLU . 27.6 t -172.25 -160.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.557 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.401 ' N ' ' OG ' ' B' ' 38' ' ' SER . 6.2 pt-20 -175.66 129.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.486 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.08 166.73 25.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.633 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.406 ' H ' ' HB2' ' B' ' 44' ' ' HIS . 50.4 m -83.5 -178.81 7.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.678 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.6 -49.9 82.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.096 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.0 -34.79 26.03 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.406 ' HB2' ' H ' ' B' ' 41' ' ' SER . 39.5 m170 -55.34 -57.18 12.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.725 0.298 . . . . 1.0 110.932 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 tt -57.18 -32.47 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.936 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 54.1 p -72.09 -67.72 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.288 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.521 ' N ' ' OG ' ' B' ' 46' ' ' SER . 23.6 t60 -55.8 -53.6 54.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 1.0 111.432 -177.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.471 ' C ' ' H ' ' B' ' 50' ' ' ASN . 30.5 tt0 -52.85 -61.11 2.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.167 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.482 ' O ' HD23 ' B' ' 49' ' ' LEU . 0.9 OUTLIER -66.52 7.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.422 -177.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.471 ' H ' ' C ' ' B' ' 48' ' ' GLN . 13.6 m-20 58.25 74.23 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.788 -0.365 . . . . 1.0 110.693 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tp -152.33 155.95 38.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.113 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.4 p -79.36 115.26 18.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.559 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -71.19 2.28 4.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.013 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 77.5 p -73.36 -38.28 65.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.31 -0.404 . . . . 1.0 111.082 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -105.14 -5.76 20.48 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.541 -0.3 . . . . 1.0 111.673 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.616 HG13 ' N ' ' B' ' 57' ' ' SER . 8.6 p -60.71 -56.55 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.962 -177.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.616 ' N ' HG13 ' B' ' 56' ' ' VAL . 11.2 t -49.76 -52.76 29.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.721 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -56.65 -29.67 62.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.654 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.415 ' OE1' ' OD2' ' B' ' 25' ' ' ASP . 8.4 tp-100 -70.78 -50.78 32.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.123 -178.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 mt -59.38 -48.2 82.53 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.983 -0.287 . . . . 1.0 111.009 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -45.36 -42.94 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.885 -178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 15.6 tp -56.19 -62.45 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.201 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.547 HD12 ' N ' ' B' ' 63' ' ' LEU . 10.5 mp -47.62 -48.51 28.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.199 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -49.31 -29.56 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.254 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -80.81 -45.49 16.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.422 ' H ' HG23 ' B' ' 66' ' ' VAL . 9.2 t -56.39 -13.25 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.439 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.466 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 15.6 t-80 78.94 18.55 0.86 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.143 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 30.6 mt -87.97 -73.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.773 0.32 . . . . 1.0 110.384 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -82.08 132.81 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.9 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -103.81 135.82 44.64 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.456 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -91.49 164.84 13.66 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.895 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -145.36 125.59 13.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.868 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -90.12 106.62 18.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.67 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.417 ' OE1' HD12 ' B' ' 79' ' ' ILE . 12.1 pt20 -138.34 136.39 36.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.101 -0.499 . . . . 1.0 109.907 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.56 -157.46 1.53 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.488 -1.045 . . . . 1.0 110.488 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -64.15 -55.47 21.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.811 0.338 . . . . 1.0 110.54 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.436 ' C ' ' SD ' ' B' ' 78' ' ' MET . 22.7 t -72.29 -167.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.593 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.586 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -152.05 125.15 8.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.207 -0.451 . . . . 1.0 109.859 179.252 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.417 HD12 ' OE1' ' B' ' 74' ' ' GLN . 17.7 mt -98.33 129.03 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.0 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -93.41 146.52 23.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.369 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 38.9 p -155.16 132.44 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.821 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 24.3 tp -87.82 124.29 33.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.174 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.406 ' O ' HD12 ' B' ' 85' ' ' ILE . 1.4 m-20 -79.66 -27.34 40.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.922 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.48 78.44 9.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.875 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.682 ' N ' HD12 ' B' ' 85' ' ' ILE . 2.1 mp -62.45 -26.61 40.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 1.0 109.913 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -46.92 -46.42 21.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.851 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.09 -39.06 79.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.808 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.16 91.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.744 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 45.7 p -74.63 -48.52 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.84 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 24.5 ttt -54.44 -28.92 47.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.389 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 31.0 tp -73.64 -37.74 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.374 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -61.96 -49.43 76.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.672 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -57.52 -31.69 66.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.881 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.64 66.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.674 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.425 ' O ' HG22 ' B' ' 95' ' ' ILE . 73.4 mt -79.29 -11.67 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.666 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -73.66 -33.37 64.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.676 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 16.3 t60 -45.72 -36.14 4.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.728 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.22 -35.06 77.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.663 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -87.62 74.59 9.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.565 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.413 ' N ' ' CD ' ' B' ' 101' ' ' PRO . 48.3 t60 -166.22 55.28 0.35 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.788 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' B' ' 100' ' ' HIS . 62.8 Cg_endo -70.85 -90.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.668 2.245 . . . . 1.0 111.95 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp 59.76 113.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.616 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.995 -1.002 . . . . 1.0 110.536 179.861 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.459 ' ND2' ' ND2' ' B' ' 27' ' ' ASN . 4.5 m120 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.3 m 46.82 -126.0 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.276 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -155.65 -35.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.87 0.367 . . . . 1.0 110.167 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 m -67.61 -58.51 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.4 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.482 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -49.58 -48.41 48.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.802 179.123 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 17' ' ' THR . 31.1 tt0 -45.15 -45.14 11.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.936 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -48.95 -21.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.034 0.445 . . . . 1.0 110.744 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.5 t -89.64 -23.45 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.483 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 14' ' ' GLU . 8.6 m -78.26 -17.36 56.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.105 -178.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.78 -44.46 8.5 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.702 -0.227 . . . . 1.0 111.205 -178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 20' ' ' PHE . 17.6 tt -57.59 -38.28 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.858 -0.337 . . . . 1.0 111.079 -177.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.416 ' N ' HG23 ' A' ' 19' ' ' ILE . 31.3 m-85 -79.85 -38.48 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.152 -0.314 . . . . 1.0 110.152 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -67.52 -21.54 65.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 1.0 110.512 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.74 -51.04 68.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.664 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.5 mt -56.97 167.48 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.479 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.03 -8.68 0.06 OUTLIER Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.103 -0.799 . . . . 1.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -69.3 115.97 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.714 0.292 . . . . 1.0 110.771 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.716 ' H ' HH21 ' A' ' 28' ' ' ARG . 45.6 t80 -88.53 -73.42 0.5 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.543 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -104.38 1.21 29.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.188 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.716 HH21 ' H ' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -80.87 -6.52 58.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 109.897 -179.705 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.23 -44.78 88.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.08 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -40.33 -44.09 1.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.958 -0.565 . . . . 1.0 111.161 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.49 -51.68 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.398 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 ttt -53.51 -33.7 55.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.499 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.89 -51.88 50.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.417 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.3 tp -64.31 -37.27 86.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.271 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -63.02 -36.15 82.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.097 0.475 . . . . 1.0 109.778 179.68 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 m -66.84 -21.33 66.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.055 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.1 t -77.28 -36.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.957 -0.297 . . . . 1.0 110.949 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -171.27 -141.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.84 -0.344 . . . . 1.0 110.932 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -139.51 153.78 47.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.375 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.16 -177.41 5.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.504 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.42 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 6.4 p -71.98 173.95 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.095 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 43' ' ' GLY . 19.4 m -81.65 -38.52 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.184 -178.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.461 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -81.07 -49.94 5.37 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.534 -0.626 . . . . 1.0 111.534 -178.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.42 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -43.79 -37.32 2.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.692 0.282 . . . . 1.0 111.184 -178.344 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 90.6 mt -66.41 -27.18 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.077 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 43' ' ' GLY . 48.4 t -73.94 -61.81 1.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.294 -177.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -61.67 -53.01 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.24 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -53.28 -46.19 69.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.91 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 tp -80.02 7.38 9.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.645 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.4 t30 58.68 58.33 3.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.762 0.315 . . . . 1.0 110.768 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -141.24 158.62 43.65 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.209 -0.45 . . . . 1.0 109.932 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 54' ' ' SER . 55.3 p -80.19 118.02 21.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.627 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -64.17 1.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.981 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.488 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 5.0 m -85.59 -22.1 28.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.619 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 1.2 m-20 -90.82 -42.77 10.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.262 -178.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.679 HG23 ' H ' ' A' ' 57' ' ' SER . 31.3 m -50.85 -61.02 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.979 -176.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.679 ' H ' HG23 ' A' ' 56' ' ' VAL . 54.9 p -41.88 -53.23 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.699 0.285 . . . . 1.0 111.281 -178.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 54' ' ' SER . 21.5 m80 -67.45 -28.33 67.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.635 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -67.02 -53.73 28.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.892 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 43.3 mt -50.01 -38.34 37.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.442 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -45.42 -50.37 12.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.602 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 tp -61.05 -70.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.391 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.9 mp -41.78 -62.1 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.964 -179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -48.3 -47.65 36.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.998 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.1 t -65.1 -36.94 85.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.236 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 66' ' ' VAL . 61.5 t -77.44 -2.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.893 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.475 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 3.7 m80 77.85 22.55 0.85 Allowed 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.013 0.375 . . . . 1.0 112.013 176.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 43.1 mt -87.92 -15.29 37.0 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.571 0.224 . . . . 1.0 110.807 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.2 t -144.82 135.02 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.828 0.347 . . . . 1.0 110.591 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -107.98 129.1 55.14 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.372 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 -179.62 6.0 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.583 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -155.16 137.09 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.519 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -71.91 103.39 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.874 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -136.12 93.62 2.94 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.24 -151.56 42.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.549 ' CD ' ' H ' ' A' ' 76' ' ' GLN . 1.7 mp0 -62.29 -59.33 5.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.745 0.307 . . . . 1.0 110.832 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.8 m -78.5 -167.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.564 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.9 mmt -132.44 119.49 20.69 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 96.9 mt -79.1 119.86 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 1.0 110.509 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -82.3 129.3 34.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.79 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -145.16 145.5 31.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.483 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -82.41 -176.81 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.521 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -159.25 -45.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.45 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 p30 -74.55 88.21 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.637 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.5 mm -63.27 -17.89 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.576 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.432 ' N ' ' ND1' ' A' ' 86' ' ' HIS . 3.1 m80 -57.87 -52.24 66.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.72 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.87 -36.79 63.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.653 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.64 -34.51 72.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.615 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.7 m -74.3 -46.06 43.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.774 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.1 mmt -55.42 -28.84 56.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.936 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 91' ' ' LEU . 2.2 tt -69.55 -61.6 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 1.0 110.224 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -46.17 -49.4 16.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.667 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -47.58 -34.29 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.502 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -68.92 -45.22 71.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.634 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 95' ' ' ILE . 86.3 mt -79.76 -7.41 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.6 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.406 ' C ' ' N ' ' A' ' 98' ' ' ALA . 84.6 t60 -75.07 -53.02 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.67 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 99' ' ' ASN . 58.2 t-80 -46.97 -20.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.7 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 96' ' ' HIS . . . -45.64 -18.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.652 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' HIS . 4.9 m120 -83.33 125.43 31.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.475 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -77.89 151.3 79.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.263 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -70.9 -90.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 121.818 1.679 . . . . 1.0 111.894 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -155.74 -67.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.508 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.617 ' CD ' ' H ' ' A' ' 103' ' ' GLU . 1.4 pm0 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.517 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' B' ' 11' ' ' ASP . 8.9 t -159.72 -153.18 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.458 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.433 ' N ' ' OG1' ' B' ' 10' ' ' THR . 23.6 t70 -166.3 -35.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.626 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -61.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.013 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' B' ' 15' ' ' ARG . 11.1 tp -51.32 -54.95 21.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.172 -177.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -50.84 -11.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.871 -0.332 . . . . 1.0 111.05 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' B' ' 13' ' ' LEU . 56.6 ttm-85 -67.64 -57.74 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.793 -0.363 . . . . 1.0 110.403 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.512 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 12.6 m -64.96 -15.28 17.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.562 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.416 ' CG2' ' CE1' ' A' ' 26' ' ' TYR . 89.6 m -74.92 -26.25 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.332 179.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -78.66 -37.02 42.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.734 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 98.9 mt -56.46 -67.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.652 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.512 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 9.8 m-85 -50.29 -37.81 38.11 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.76 -0.376 . . . . 1.0 110.534 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -65.54 -36.56 84.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.756 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.58 -47.73 49.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.387 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 30.8 mt -60.24 162.64 5.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.369 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.19 -23.08 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 15.7 p-10 -72.66 138.11 46.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 1.0 110.71 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -98.91 -73.34 0.63 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.082 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.459 ' ND2' ' ND2' ' A' ' 9' ' ' ASN . 48.6 m-20 -104.27 -4.27 23.21 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.085 178.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.495 ' N ' ' CD ' ' B' ' 28' ' ' ARG . 10.7 mpt_? -78.83 -8.44 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.284 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' B' ' 31' ' ' ILE . 17.1 tt -71.88 -29.59 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.415 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -40.57 -21.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.336 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' B' ' 29' ' ' ILE . 9.7 pt -70.24 -40.6 78.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.889 -0.324 . . . . 1.0 110.424 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.451 ' N ' ' O ' ' B' ' 29' ' ' ILE . 71.4 mmm -62.71 -26.24 68.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.49 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -68.43 -68.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.013 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 tp -50.83 -31.05 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.749 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.515 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -63.55 -32.01 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.107 0.479 . . . . 1.0 109.823 -179.568 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 11.9 t -49.76 -13.89 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.458 HG22 ' O ' ' B' ' 37' ' ' VAL . 1.7 p -172.11 86.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.38 0.609 . . . . 1.0 110.806 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' B' ' 37' ' ' VAL . 1.8 m 163.86 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.532 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -171.93 134.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.44 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -159.32 -178.36 7.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.665 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 45.0 m -79.13 -179.04 6.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.633 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 9.7 p -78.77 -35.05 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.494 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.63 -54.98 2.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -44.86 -57.55 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.334 . . . . 1.0 110.817 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 tt -48.19 -28.65 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.788 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.9 t -77.41 -59.11 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.957 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -53.31 -50.45 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.043 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -53.14 -53.27 52.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.916 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 39.1 mt -79.34 9.48 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.295 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 56.8 64.77 1.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.761 0.315 . . . . 1.0 111.044 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 94.8 mt -141.61 156.14 45.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.139 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 37.9 m -81.51 123.56 28.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.654 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -48.19 -54.64 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.929 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.441 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 45.5 t -52.89 -34.93 57.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.203 -178.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -73.29 -65.99 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.092 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.608 HG13 ' H ' ' B' ' 57' ' ' SER . 6.3 p -50.82 -58.33 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.726 -178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.608 ' H ' HG13 ' B' ' 56' ' ' VAL . 28.6 t -41.76 -49.91 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.837 0.351 . . . . 1.0 111.257 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' B' ' 54' ' ' SER . 1.9 m80 -65.62 -22.79 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.652 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' B' ' 56' ' ' VAL . 5.2 tt0 -74.26 -43.01 58.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.885 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 15.9 mt -55.47 -38.51 69.18 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.536 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -46.65 -52.75 13.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.423 ' O ' HD23 ' B' ' 62' ' ' LEU . 1.2 tt -54.45 -62.83 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.376 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.529 ' N ' HD22 ' B' ' 63' ' ' LEU . 4.0 mm? -47.3 -54.61 10.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.511 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -65.1 -37.28 86.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.281 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.4 p -72.85 8.37 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.23 -177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.505 ' O ' HG12 ' B' ' 66' ' ' VAL . 82.2 t -124.88 -3.3 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.712 -0.222 . . . . 1.0 110.533 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.454 ' CB ' ' O ' ' B' ' 66' ' ' VAL . 0.9 OUTLIER 85.77 19.62 0.1 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.348 176.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.419 HD12 HD13 ' B' ' 63' ' ' LEU . 35.3 mt -91.16 -13.49 32.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.626 0.25 . . . . 1.0 110.536 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 85.2 t -147.57 143.42 19.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.84 0.352 . . . . 1.0 110.601 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -124.19 111.06 15.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.157 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.81 155.24 19.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.078 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -141.69 163.38 33.06 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.913 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.5 ptt85 -139.02 127.55 23.08 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.059 0.457 . . . . 1.0 110.538 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -160.24 67.9 0.36 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.096 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.34 -61.72 0.41 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.578 -1.009 . . . . 1.0 110.578 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -164.42 -88.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 84.9 p -62.37 179.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.98 -0.378 . . . . 1.0 109.98 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.583 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.6 mpt? -111.08 111.3 22.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.805 0.336 . . . . 1.0 110.369 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 mm -82.86 103.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.737 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -68.9 146.9 52.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.598 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 68.2 m -153.95 138.82 17.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.704 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.57 HD22 ' N ' ' B' ' 82' ' ' LEU . 2.9 mm? -81.06 94.44 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.179 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -71.98 -36.67 69.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.365 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.82 95.44 8.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.515 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 20.0 tt -71.1 -16.45 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.777 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -56.13 -57.37 12.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.695 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.56 -40.69 87.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.859 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.08 -45.41 83.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.671 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.7 m -74.74 -35.11 62.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.528 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 5.8 tpt -63.02 -27.31 69.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.613 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.7 tp -70.97 -49.9 40.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.433 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -59.54 -38.59 81.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.507 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -58.16 -32.67 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.715 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.3 -54.83 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.732 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.471 ' O ' HG22 ' B' ' 95' ' ' ILE . 92.8 mt -70.1 -7.53 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.591 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -75.33 -67.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.602 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -87.61 -33.64 18.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.331 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 54.85 -92.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.682 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -162.46 65.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -168.68 66.26 0.66 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.828 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -45.27 162.29 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.649 2.233 . . . . 1.0 112.2 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -77.06 -151.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.641 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.565 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.0 m -127.1 -76.48 0.57 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.157 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -172.31 -58.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.75 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 13' ' ' LEU . 8.8 t -72.82 -45.68 57.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.027 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.556 ' N ' HG23 ' A' ' 12' ' ' THR . 10.7 tp -44.68 -56.02 4.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 1.0 110.871 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -48.82 -54.12 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.812 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -56.71 -37.31 70.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.799 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 97.9 t -68.76 -25.92 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.995 0.426 . . . . 1.0 110.408 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.9 m -72.77 -18.52 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.368 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -78.84 -37.88 39.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.473 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 73.6 mt -56.5 -62.07 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -56.21 -44.02 79.09 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.723 -0.391 . . . . 1.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -66.0 -15.22 62.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.777 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -70.54 -50.83 33.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 1.0 110.465 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' B' ' 20' ' ' PHE . 13.7 mt -44.0 145.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.87 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -158.01 125.67 1.58 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.516 -1.034 . . . . 1.0 110.516 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' GLY . 60.3 m-20 56.98 114.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 1.0 110.653 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -71.59 -13.92 61.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.745 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -76.56 -15.49 59.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.9 ttt-85 -76.69 -33.3 58.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 1.0 111.051 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -46.26 -51.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.713 0.292 . . . . 1.0 110.497 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -45.49 -37.46 5.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.922 0.392 . . . . 1.0 110.464 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' LEU . 20.8 mt -74.94 -60.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.377 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 ttm -41.17 -41.26 1.76 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.53 -38.43 89.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.274 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' ILE . 11.1 tp -65.31 -37.48 87.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 37' ' ' VAL . 13.4 mt -66.28 -30.2 70.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.479 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.2 m -46.73 -21.0 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.469 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 37' ' ' VAL . 3.4 p -177.06 88.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.088 178.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' GLU . 89.2 p -170.18 -64.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.986 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 38' ' ' SER . 57.4 mt-10 59.37 116.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.386 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.86 -177.38 6.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.673 -178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.433 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 25.9 t -70.96 171.87 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.446 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 t -79.85 -37.16 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.966 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.19 -64.42 1.65 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.269 -0.732 . . . . 1.0 111.269 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -43.09 -55.3 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.756 0.312 . . . . 1.0 111.151 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 41' ' ' SER . 18.9 tt -45.83 -27.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.774 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.3 p -83.94 -38.58 20.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.109 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.1 -53.12 58.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.959 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.44 -39.93 92.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.827 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 32.0 tp -75.66 -9.07 58.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.183 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m120 68.84 64.6 0.3 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.507 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.2 mt -143.12 158.28 43.75 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.828 -0.434 . . . . 1.0 109.828 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 54' ' ' SER . 92.1 p -79.52 114.48 18.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.564 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -58.85 -3.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.689 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 52' ' ' SER . 11.9 t -77.29 -42.51 36.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.517 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -77.48 -37.54 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.492 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.6 t -44.26 -69.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.7 p -45.75 -34.62 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.958 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -78.57 -31.21 47.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.993 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.28 -57.48 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.745 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.21 -39.72 66.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.809 0.338 . . . . 1.0 110.599 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -42.59 -62.14 1.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.073 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 tp -44.93 -57.17 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.731 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.6 mp -52.84 -49.28 66.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.431 -177.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -43.72 -36.45 2.23 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.93 -0.308 . . . . 1.0 111.11 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p -83.5 -17.91 40.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.131 -178.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 90.7 t -76.31 -16.69 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.504 -0.316 . . . . 1.0 111.067 -178.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.468 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 4.1 m80 75.73 18.61 2.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.76 0.314 . . . . 1.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' ' 68' ' ' LEU . 3.4 tt -87.28 -73.34 0.48 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.445 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.9 m -78.78 152.13 5.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.226 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -130.72 122.58 27.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.938 -0.574 . . . . 1.0 109.889 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.76 171.19 10.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.023 0.439 . . . . 1.0 111.221 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -139.99 138.56 35.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.918 179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.96 116.1 12.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.947 0.403 . . . . 1.0 110.488 -178.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -160.16 73.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.38 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.87 -66.72 0.35 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.459 -1.056 . . . . 1.0 110.459 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -169.56 -66.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 1.0 110.543 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 78' ' ' MET . 47.6 t -63.03 -167.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.485 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.443 ' N ' ' OG ' ' A' ' 77' ' ' SER . 27.4 mtp -141.6 98.09 3.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.318 -0.401 . . . . 1.0 109.945 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.734 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.9 mp -84.66 101.01 8.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.552 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -66.18 156.0 35.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.343 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -163.81 135.78 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.005 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.602 ' N ' HD12 ' A' ' 82' ' ' LEU . 8.1 mp -86.72 82.11 7.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.968 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.32 -17.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.713 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 82' ' ' LEU . 33.5 m-20 -88.71 149.38 23.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.563 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.6 pt -109.97 -27.51 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.579 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -53.69 -51.99 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.876 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 t -44.71 -45.78 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.871 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.6 -41.18 69.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.69 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.2 m -73.28 -48.84 31.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.727 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 21.3 mmt -36.75 -49.6 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 1.0 112.064 -177.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 91' ' ' LEU . 7.4 mp -75.64 -36.17 60.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.736 0.303 . . . . 1.0 110.421 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -63.0 -62.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.852 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.436 ' OE1' ' N ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -52.25 -32.88 39.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.895 -178.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.436 ' N ' ' OE1' ' A' ' 93' ' ' GLN . . . -64.76 -57.26 9.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.647 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 95' ' ' ILE . 74.1 mt -75.34 -6.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.655 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -69.02 -57.94 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.506 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -73.74 -38.47 64.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.675 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 57.92 17.37 4.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.766 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 53.06 95.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.631 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -76.61 150.75 82.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.12 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -38.12 152.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.024 1.816 . . . . 1.0 112.562 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -109.29 150.35 28.1 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.411 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.055 -0.974 . . . . 1.0 110.583 179.765 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' B' ' 9' ' ' ASN . 1.8 m-20 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p -62.61 -33.68 75.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.713 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -58.32 -55.68 31.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.545 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.9 p -63.15 -41.4 99.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.711 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -61.63 -44.52 96.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.617 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.58 -15.67 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.987 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -77.8 -55.95 4.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.356 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.22 -17.94 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 1.0 110.694 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.7 p -73.83 -33.82 64.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.237 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -66.39 -28.36 68.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.481 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mt -65.96 -58.96 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.807 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 43.9 m-85 -61.28 -44.44 97.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.012 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.506 ' NZ ' ' CB ' ' B' ' 21' ' ' LYS . 5.3 ttpm? -60.12 -14.57 17.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.008 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.19 -40.95 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.664 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 mt -55.97 156.49 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.726 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.87 -110.11 0.33 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -72.68 137.99 46.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 1.0 110.712 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' ND2' ' B' ' 27' ' ' ASN . 18.5 p90 -59.93 -35.84 75.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.756 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.501 ' ND2' ' CE1' ' B' ' 26' ' ' TYR . 59.3 m-80 -46.6 -22.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 1.0 110.461 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.541 HH21 ' CG2' ' B' ' 31' ' ' ILE . 5.3 tpm_? -63.97 -36.52 84.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.448 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.33 -52.66 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.768 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -49.6 -36.54 24.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.006 -178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.541 ' CG2' HH21 ' B' ' 28' ' ' ARG . 95.1 mt -72.16 -72.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.147 -178.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 15.1 ptm -45.14 -29.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.87 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.22 -66.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 1.0 110.488 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.55 -30.45 60.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.737 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.521 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -68.31 -37.41 80.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.217 0.532 . . . . 1.0 109.598 179.271 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.8 m -46.93 -21.21 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.257 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.409 ' N ' ' C ' ' B' ' 35' ' ' LEU . 9.9 t -151.19 64.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.939 177.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -174.51 -166.03 0.24 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.844 0.354 . . . . 1.0 110.731 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -179.4 129.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.014 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.38 -177.79 5.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 1.0 111.072 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 43.4 m -76.45 -179.6 5.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.376 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 m -83.48 -34.97 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.829 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -87.32 -62.23 1.5 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.101 -0.8 . . . . 1.0 111.101 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -44.65 -48.66 10.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.765 0.317 . . . . 1.0 110.881 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 11.0 tt -53.14 -24.43 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.815 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 5.5 m -80.73 -54.04 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.894 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -44.58 -51.19 9.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.969 -178.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -60.86 -46.0 92.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.028 -178.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 mt -78.72 -3.0 42.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.358 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.4 25.56 4.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.846 0.313 . . . . 1.0 111.846 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.02 141.23 29.06 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.491 ' C ' ' H ' ' B' ' 54' ' ' SER . 10.2 t -80.28 126.36 31.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.506 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.61 -2.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.306 -179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.491 ' H ' ' C ' ' B' ' 52' ' ' SER . 59.4 m -80.08 -46.63 16.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.899 0.381 . . . . 1.0 110.52 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -80.45 -33.47 36.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.825 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' B' ' 59' ' ' GLN . 92.4 t -45.8 -73.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.699 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.9 m -41.15 -43.84 2.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.296 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -66.82 -29.89 69.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.572 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' B' ' 56' ' ' VAL . 6.8 tp-100 -63.73 -61.91 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.093 -178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -52.59 -44.51 65.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 1.0 110.955 -178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -43.92 -63.33 0.88 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.912 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 20.4 tp -45.15 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.837 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.644 HD12 ' H ' ' B' ' 63' ' ' LEU . 7.5 mp -47.33 -53.74 12.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.862 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -40.15 -42.99 1.56 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.749 -177.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.8 t -78.41 -18.82 54.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.475 -0.33 . . . . 1.0 111.357 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.452 ' O ' ' CB ' ' B' ' 67' ' ' HIS . 60.6 t -79.47 -12.68 13.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.996 -0.282 . . . . 1.0 111.327 -178.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.452 ' CB ' ' O ' ' B' ' 66' ' ' VAL . 6.6 t60 87.29 22.02 0.06 Allowed 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 122.636 0.374 . . . . 1.0 111.175 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 40.1 mt -89.61 -74.07 0.49 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.745 0.307 . . . . 1.0 110.735 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 20.2 t -83.18 146.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.905 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -117.29 129.14 55.71 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.918 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.72 160.49 17.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.698 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -147.34 140.04 24.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.115 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.6 mtt85 -132.24 117.51 18.32 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.585 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -155.75 76.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.912 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.66 -74.13 0.28 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.788 -1.325 . . . . 1.0 109.788 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -171.99 -50.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 1.0 110.216 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 50.3 m -62.42 -167.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.201 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 25.9 ttt -131.19 86.05 2.33 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.779 -0.452 . . . . 1.0 109.779 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.539 HG23 ' O ' ' B' ' 79' ' ' ILE . 15.4 tt -85.52 102.31 11.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.824 -177.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -93.09 165.07 13.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.072 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 21.6 p -154.6 152.97 30.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 84' ' ' ASP . 14.5 mt -68.89 -18.48 64.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.835 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 9.3 t70 57.51 -79.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.569 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' B' ' 82' ' ' LEU . 0.7 OUTLIER -67.95 100.28 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 1.0 110.607 179.669 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mm -71.66 -15.13 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.543 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -56.0 -23.15 31.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.582 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.4 t -76.51 -25.05 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.575 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.81 -24.85 41.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.365 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 67.4 p -78.49 -53.93 6.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.877 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' B' ' 90' ' ' MET . 0.0 OUTLIER -54.74 -26.47 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.566 -179.399 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 tp -75.12 -49.41 19.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.238 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -62.28 -42.62 99.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.489 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -55.57 -30.72 61.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.277 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.11 -45.29 61.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.437 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.453 ' O ' HG22 ' B' ' 95' ' ' ILE . 86.3 mt -76.61 -11.08 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.312 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -73.4 -38.17 65.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.621 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' B' ' 99' ' ' ASN . 21.2 m170 -79.28 -45.29 20.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.511 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 55.27 -82.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.668 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' B' ' 97' ' ' HIS . 5.4 t-20 -172.51 178.51 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.623 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.406 ' H ' ' CG ' ' B' ' 99' ' ' ASN . 12.1 t-160 -172.44 74.06 0.45 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.509 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.11 136.18 14.37 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.634 2.223 . . . . 1.0 112.476 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 55.9 mttm 46.92 -102.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.68 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.033 -0.984 . . . . 1.0 110.558 -179.845 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 11' ' ' ASP . 16.3 p30 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.351 -0.611 . . . . 1.0 109.351 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.2 p -78.02 38.7 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.463 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 9' ' ' ASN . 6.2 p-10 -161.82 -31.63 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.666 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.3 p -73.53 -59.45 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.8 mt -81.04 -12.61 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.529 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -57.91 -21.42 43.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.551 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -69.71 -62.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.761 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.0 m -61.75 -16.16 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.557 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.8 m -74.9 -39.94 61.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.485 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -62.34 -33.1 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.276 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 19.1 mt -61.55 -62.96 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.635 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -57.66 -44.33 85.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.682 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -59.36 -20.09 51.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.859 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -71.13 -42.79 68.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.663 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -51.9 156.3 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.518 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.3 -76.89 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.855 -0.898 . . . . 1.0 110.855 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -73.21 179.51 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.791 0.329 . . . . 1.0 110.545 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.492 ' CG ' ' N ' ' A' ' 27' ' ' ASN . 27.6 p90 -99.77 -48.6 4.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.056 0.455 . . . . 1.0 109.995 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.659 ' ND2' HE21 ' A' ' 59' ' ' GLN . 13.6 p-10 -65.18 2.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HE ' HD11 ' A' ' 63' ' ' LEU . 56.2 ttt-85 -63.85 -29.04 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.576 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 31' ' ' ILE . 42.0 mt -77.17 -54.37 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.705 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -42.0 -19.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.218 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 29' ' ' ILE . 6.6 mm -76.27 -41.38 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.477 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 29' ' ' ILE . 46.2 mtt -70.24 -35.94 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.871 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.84 -33.52 76.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.934 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.1 tp -78.93 -39.67 34.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.761 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -62.31 -30.64 71.3 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.5 t -38.68 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.419 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' LEU . 4.0 p -176.27 82.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.069 177.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -153.33 -77.72 0.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.267 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 61.69 108.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.949 -0.389 . . . . 1.0 109.949 -176.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.01 -176.83 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.917 0.389 . . . . 1.0 110.926 -177.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.3 t -65.11 167.1 8.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.364 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 43' ' ' GLY . 13.6 m -83.41 -35.96 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.427 . . . . 1.0 111.042 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 46' ' ' SER . . . -81.99 -48.78 5.61 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.476 -0.65 . . . . 1.0 111.476 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -42.21 -52.89 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 1.0 111.13 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.5 pt -51.71 -26.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.775 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' GLY . 6.2 t -69.78 -73.27 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.977 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -57.89 -49.78 75.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.109 -178.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -50.05 -56.87 9.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.144 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.413 ' O ' ' OD1' ' A' ' 50' ' ' ASN . 31.1 mt -78.42 20.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.178 -178.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER 54.16 15.93 1.05 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.687 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.0 mt -88.59 149.92 23.32 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.994 -0.372 . . . . 1.0 109.994 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 54' ' ' SER . 17.9 p -83.13 136.12 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.302 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -63.9 9.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.77 -177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 52' ' ' SER . 37.8 p -74.83 -33.71 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.7 0.286 . . . . 1.0 111.023 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 57' ' ' SER . 15.5 p-10 -83.68 -47.04 11.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.202 -178.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.417 ' H ' HG13 ' A' ' 56' ' ' VAL . 5.7 m -54.1 -2.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.529 -0.305 . . . . 1.0 111.806 -178.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 55' ' ' ASN . 7.6 t -95.32 -60.52 1.65 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.945 0.403 . . . . 1.0 110.203 177.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.464 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 41.0 t-80 -79.07 -16.07 57.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.0 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.659 HE21 ' ND2' ' A' ' 27' ' ' ASN . 20.8 mm-40 -60.76 -70.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.144 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.68 -44.75 69.97 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.778 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -40.92 -65.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.356 . . . . 1.0 111.175 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 65' ' ' SER . 11.3 tp -51.47 -68.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.944 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.523 HD11 ' HE ' ' A' ' 28' ' ' ARG . 8.5 mp -41.1 -50.89 3.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.014 -177.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -57.84 -26.62 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.841 -0.344 . . . . 1.0 110.493 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 62' ' ' LEU . 7.5 t -80.59 -44.79 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.215 -179.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.29 -2.95 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.618 -0.264 . . . . 1.0 110.923 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 68.93 14.52 8.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.328 178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.3 mt -82.27 0.56 40.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.671 -0.24 . . . . 1.0 110.603 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -152.12 135.07 6.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.966 0.412 . . . . 1.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -98.77 119.84 38.2 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.216 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.73 172.95 8.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.68 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -149.9 132.56 15.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.318 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' A' ' 73' ' ' ARG . 8.7 mpt_? -91.46 114.08 26.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.506 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 77' ' ' SER . 32.1 tt0 -131.06 112.38 12.84 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.446 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.49 -148.97 48.87 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -68.63 -50.07 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 1.0 110.378 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 78' ' ' MET . 35.1 t -82.57 -167.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.904 177.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.477 ' N ' ' OG ' ' A' ' 77' ' ' SER . 17.4 ptt? -154.71 163.43 40.26 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.013 -0.366 . . . . 1.0 110.013 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.6 mt -133.1 123.4 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.894 0.378 . . . . 1.0 110.273 -178.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.671 ' CE2' HD23 ' A' ' 35' ' ' LEU . 40.2 p90 -86.49 155.63 20.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.287 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.7 m -158.9 152.21 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.002 0.43 . . . . 1.0 111.051 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.7 mt -81.56 -39.9 23.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.687 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t70 70.44 -55.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.68 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -54.69 95.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.496 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 tp -62.83 -19.03 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.56 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -68.11 -61.71 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.65 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.4 t -46.65 -41.6 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.738 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.86 87.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.783 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -72.92 -49.84 27.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.658 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.0 mmt -44.77 -33.96 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.869 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -68.02 -62.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.077 -179.794 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -45.18 -53.65 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.784 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -46.34 -35.5 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.647 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.49 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.562 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.6 mm -75.35 -7.0 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.58 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.471 ' C ' ' H ' ' A' ' 98' ' ' ALA . 56.6 t-80 -88.67 -24.73 22.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.83 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -68.74 10.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.898 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 96' ' ' HIS . . . -70.46 62.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.66 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -164.58 159.41 19.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.641 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.0 m80 54.87 59.94 10.36 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.593 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -76.22 -97.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.675 2.25 . . . . 1.0 111.826 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt 40.99 35.2 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.222 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.557 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 10.6 m -48.7 -67.43 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.683 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -169.01 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.742 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -57.31 -43.14 83.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.775 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tp -76.55 -33.71 58.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.602 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' B' ' 17' ' ' THR . 39.7 tp10 -47.24 -44.31 22.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.06 -179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -68.15 -29.32 68.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.844 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.6 t -74.42 -25.35 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.893 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 68.1 p -74.13 -28.07 61.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.196 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.58 -39.18 88.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.476 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mm -53.7 -52.96 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -75.19 -44.35 46.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.914 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.71 -10.34 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.717 0.294 . . . . 1.0 110.776 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.29 -44.54 16.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.956 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 13.0 mt -48.6 153.95 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.768 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.65 -88.63 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.824 -0.91 . . . . 1.0 110.824 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.405 ' HB2' HD21 ' B' ' 27' ' ' ASN . 0.8 OUTLIER -81.16 109.23 15.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 1.0 110.688 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.484 ' C ' ' H ' ' B' ' 28' ' ' ARG . 17.2 p90 -47.49 -31.28 4.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.101 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.685 HD22 ' N ' ' B' ' 28' ' ' ARG . 0.0 OUTLIER -56.12 -5.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.771 -179.174 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.685 ' N ' HD22 ' B' ' 27' ' ' ASN . 8.9 ptm180 -65.53 -24.73 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.012 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.95 -55.9 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.742 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -43.15 -32.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.094 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' B' ' 34' ' ' LEU . 48.0 mt -66.14 -70.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.551 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 39.5 mtt -42.28 -30.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.282 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.05 -34.37 76.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.839 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' B' ' 38' ' ' SER . 10.2 tp -77.46 -39.58 46.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.821 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.525 HD22 ' N ' ' B' ' 35' ' ' LEU . 3.2 mm? -67.22 -38.07 84.65 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.903 -0.319 . . . . 1.0 110.443 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 48.9 m -42.1 -25.98 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.607 -0.27 . . . . 1.0 111.264 -178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.446 HG13 ' O ' ' B' ' 37' ' ' VAL . 7.1 p -162.9 68.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.562 0.696 . . . . 1.0 110.729 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' B' ' 34' ' ' LEU . 11.9 p -174.02 -171.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.608 . . . . 1.0 110.431 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -177.93 127.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.266 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -177.91 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.815 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -69.57 170.94 9.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.407 178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 t -80.03 -25.61 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.855 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.7 -47.07 2.79 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.431 -0.667 . . . . 1.0 111.431 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -41.43 -51.13 3.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.0 111.509 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.409 HD13 HG21 ' B' ' 45' ' ' ILE . 18.3 pt -55.4 -23.95 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.156 -178.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 40.0 p -70.91 -69.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 1.0 111.144 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.526 ' N ' ' OG ' ' B' ' 46' ' ' SER . 42.0 t-80 -52.24 -49.94 63.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.012 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' B' ' 50' ' ' ASN . 43.0 tt0 -53.58 -66.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.127 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.471 ' C ' HD22 ' B' ' 50' ' ' ASN . 36.3 mt -65.13 7.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.208 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' B' ' 48' ' ' GLN . 1.8 m-80 59.0 59.54 2.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.769 0.318 . . . . 1.0 110.891 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.5 mt -133.63 152.31 51.86 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.831 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.454 ' C ' ' H ' ' B' ' 54' ' ' SER . 22.8 p -78.61 111.6 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.427 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -60.79 -0.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.707 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.454 ' H ' ' C ' ' B' ' 52' ' ' SER . 10.1 t -74.93 -41.1 60.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.455 179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' B' ' 59' ' ' GLN . 7.3 m-20 -84.72 -38.06 20.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.669 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' B' ' 59' ' ' GLN . 87.6 t -44.01 -77.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.938 -179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.2 m -43.48 -44.24 5.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.067 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -68.73 -26.55 65.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.504 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' B' ' 55' ' ' ASN . 54.2 tp60 -71.58 -42.5 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.772 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 mt -59.21 -40.79 86.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.634 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -47.98 -56.91 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.327 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.71 -77.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.326 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.5 mt -36.58 -51.78 0.85 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.798 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -49.76 -48.39 50.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.845 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 14.3 t -62.18 -40.52 96.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.022 -178.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.543 ' O ' ' CG ' ' B' ' 67' ' ' HIS . 3.1 t -75.68 13.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.578 -178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' B' ' 66' ' ' VAL . 3.2 p80 52.97 18.75 1.16 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.151 0.426 . . . . 1.0 112.151 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.9 mt -79.81 -14.17 58.88 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 97.5 t -152.48 148.82 14.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.111 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -128.39 128.59 44.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.823 0.344 . . . . 1.0 110.412 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.77 172.24 9.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.444 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -146.3 144.51 29.87 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.005 0.431 . . . . 1.0 110.545 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.3 ptt85 -139.62 103.86 4.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.696 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -145.89 88.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.58 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' B' ' 77' ' ' SER . . . 96.24 103.47 2.06 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.56 -1.416 . . . . 1.0 109.56 -175.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.477 ' CD ' ' N ' ' B' ' 76' ' ' GLN . 1.7 pm0 -20.71 84.24 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.64 0.776 . . . . 1.0 113.066 -176.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.46 ' N ' ' O ' ' B' ' 75' ' ' GLY . 19.2 m -175.99 91.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.863 -0.792 . . . . 1.0 108.863 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -71.54 115.92 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.439 -174.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 12.4 pt -147.22 129.8 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.138 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -106.56 168.24 9.3 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.026 0.441 . . . . 1.0 111.467 -176.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 16.0 t -169.99 160.78 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.672 -0.694 . . . . 1.0 110.782 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 56.0 tp -91.15 91.36 8.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.5 . . . . 1.0 109.978 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -69.87 -8.72 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.179 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 2.5 m-20 -75.64 100.4 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.787 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.18 -41.88 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.593 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -56.43 -69.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.831 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 32.9 t -45.27 -51.87 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.975 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.32 -57.03 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.167 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 29.9 p -70.91 -46.9 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.812 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 24.1 ttt -46.25 -31.67 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.736 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.6 tp -72.64 -51.21 20.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.212 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -59.74 -39.38 84.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.308 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -55.62 -29.64 59.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.389 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.48 -48.22 42.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.513 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.442 ' O ' HG22 ' B' ' 95' ' ' ILE . 70.0 mt -78.71 -8.81 11.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.332 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.13 -38.53 43.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.491 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.472 ' C ' ' N ' ' B' ' 99' ' ' ASN . 28.3 m170 -74.59 -68.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.463 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 49.73 11.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.472 ' N ' ' C ' ' B' ' 97' ' ' HIS . 0.7 OUTLIER -78.51 116.5 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.757 -179.284 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.686 ' H ' ' CD ' ' B' ' 101' ' ' PRO . 18.1 t-80 -172.83 -37.83 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.909 178.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.686 ' CD ' ' H ' ' B' ' 100' ' ' HIS . 34.2 Cg_exo -61.36 155.88 49.47 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 121.672 1.581 . . . . 1.0 112.179 -177.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -81.34 148.36 29.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.568 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.051 -0.976 . . . . 1.0 110.628 179.839 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 m120 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.8 p 54.72 54.38 9.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.65 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.14 -9.31 15.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.577 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.1 m -82.19 -61.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.761 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.43 -30.58 63.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.519 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -49.14 -58.46 4.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.884 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -64.76 -24.52 67.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.183 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -73.06 -25.3 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.984 0.421 . . . . 1.0 110.213 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.8 m -77.54 -22.86 50.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.034 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.41 -40.15 89.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.567 . . . . 1.0 110.177 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.61 -59.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.35 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -57.29 -42.04 80.94 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.45 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -53.58 -24.19 13.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.444 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.83 55.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.481 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.1 mt -46.14 133.27 9.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.491 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.25 -10.17 0.05 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.239 -0.744 . . . . 1.0 111.239 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -168.45 109.52 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 1.0 110.612 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -50.46 -26.34 4.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.754 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.17 -11.11 18.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.611 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 29' ' ' ILE . 40.0 ptt85 -62.87 -42.06 99.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.65 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 28' ' ' ARG . 46.8 mm -54.37 -50.79 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.148 178.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -54.19 -49.87 68.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.586 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 34' ' ' LEU . 77.6 mt -64.37 -63.44 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.743 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 73.5 mtp -44.72 -31.41 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.966 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -68.84 -31.46 70.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.939 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 31' ' ' ILE . 34.9 tp -83.27 -43.65 15.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.721 -178.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.49 -19.46 64.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 1.0 110.699 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.48 ' O ' HG13 ' A' ' 37' ' ' VAL . 43.7 t -70.6 -17.22 62.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.546 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 36' ' ' SER . 16.8 m -158.69 51.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 37' ' ' VAL . 1.4 t 163.44 89.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.913 0.387 . . . . 1.0 110.089 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -74.73 151.49 39.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.674 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.18 -177.84 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.695 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.0 t -79.96 -173.17 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.387 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 43' ' ' GLY . 17.5 m -82.75 -42.08 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.76 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.53 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -81.8 -45.71 7.09 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.101 -0.799 . . . . 1.0 111.101 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -45.53 -30.58 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.659 0.266 . . . . 1.0 110.817 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.2 mt -79.11 -25.29 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.934 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' GLY . 11.0 t -70.84 -42.25 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.993 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -77.22 -49.12 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 1.0 111.212 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' C ' ' H ' ' A' ' 50' ' ' ASN . 6.7 mm100 -66.07 -56.5 11.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.1 -178.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -70.53 11.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.223 -178.03 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 50' ' ' ASN . 6.2 p-10 45.02 72.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.194 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.8 mt -143.84 149.84 37.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.232 -0.655 . . . . 1.0 109.232 177.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 54' ' ' SER . 14.6 t -77.78 122.61 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -55.69 -2.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.507 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.503 ' H ' ' C ' ' A' ' 52' ' ' SER . 26.7 t -74.95 -52.53 10.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 1.0 110.923 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -79.28 -28.08 42.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.058 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.01 -80.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.917 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 t -44.18 -48.91 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.06 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -56.33 -24.08 41.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.856 -178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -66.94 -52.16 46.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.91 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.8 mt -50.73 -46.51 59.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.843 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -42.31 -72.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.021 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 48.6 tp -55.89 -73.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.462 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.53 HD11 ' CD2' ' A' ' 68' ' ' LEU . 20.0 tp -37.86 -50.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.736 -0.665 . . . . 1.0 111.892 -176.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -65.76 -48.81 70.59 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.867 -0.333 . . . . 1.0 111.137 -178.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.5 m -53.16 -19.29 2.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.213 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 66' ' ' VAL . 83.9 t -81.23 -8.1 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.046 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 18.6 t-80 82.59 16.83 0.35 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.646 179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.53 ' CD2' HD11 ' A' ' 63' ' ' LEU . 20.9 tp -75.42 -88.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.409 . . . . 1.0 109.932 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.98 157.2 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 1.0 110.848 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.2 tttm -115.93 121.17 41.51 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.111 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.94 162.35 16.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.826 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -148.16 141.86 25.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.912 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.0 ptt85 -139.65 123.1 17.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.938 0.399 . . . . 1.0 110.611 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -160.5 97.51 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 100.28 102.39 2.48 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 44.07 -88.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.675 0.274 . . . . 1.0 111.236 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 75' ' ' GLY . 48.4 t -71.75 -167.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.659 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -153.04 144.5 23.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.771 179.662 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 95.6 mt -120.21 113.87 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 120.805 0.335 . . . . 1.0 110.363 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -98.07 144.06 27.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.52 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.5 p -158.06 179.63 9.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.203 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -171.15 1.52 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.806 -0.358 . . . . 1.0 110.163 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -158.5 -36.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.559 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.49 104.27 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 1.0 110.526 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.1 tp -75.24 -24.97 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.494 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -56.86 -62.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.809 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -55.95 -36.12 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.812 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.51 -47.25 76.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.777 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 49.2 p -75.62 -41.72 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.554 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.6 ttm -51.38 -33.21 28.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.544 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 91' ' ' LEU . 3.0 tt -68.7 -59.7 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.065 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -48.9 -45.0 40.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.554 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -55.77 -25.39 40.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.585 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -76.73 -46.59 24.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.392 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.5 mm -65.32 -5.35 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.41 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -92.19 -55.67 3.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.604 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -48.88 -43.93 39.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.906 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.51 ' O ' ' CD2' ' A' ' 100' ' ' HIS . . . -61.0 -5.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.809 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -82.63 81.15 8.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.919 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.595 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 14.6 m-70 -77.24 -35.61 1.38 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.825 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 43.5 Cg_endo -90.94 171.71 3.19 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.125 1.884 . . . . 1.0 112.368 -178.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -62.82 165.32 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.511 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.103 -0.951 . . . . 1.0 110.588 179.747 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 32.6 p -76.03 166.33 23.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.619 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.94 -13.5 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.658 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' B' ' 13' ' ' LEU . 29.8 p -70.0 -61.68 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.735 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.447 ' O ' HD23 ' B' ' 13' ' ' LEU . 3.2 tt -46.58 -53.43 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.259 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' THR . 65.1 mt-10 -45.11 -54.08 7.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.966 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -46.25 -41.55 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.743 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 t -65.36 -23.45 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.603 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.442 ' N ' ' O ' ' B' ' 14' ' ' GLU . 7.1 m -72.15 -23.27 61.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.416 179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.21 -33.3 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.473 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.61 -42.26 80.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.459 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -75.97 -39.26 56.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.594 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 tttm -58.25 -23.59 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -53.66 55.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.655 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 mt -39.2 123.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.404 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.404 ' H ' ' HG3' ' B' ' 28' ' ' ARG . . . -85.18 -122.95 1.18 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -81.62 -135.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.705 0.288 . . . . 1.0 110.601 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.423 ' C ' ' H ' ' B' ' 28' ' ' ARG . 52.8 m-85 -100.05 -50.74 3.89 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 1.0 110.141 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -65.38 3.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.768 -0.651 . . . . 1.0 111.043 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.544 ' HE ' ' N ' ' B' ' 29' ' ' ILE . 1.9 tmm_? -60.97 -59.03 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 1.0 110.037 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.581 HG23 ' N ' ' B' ' 30' ' ' ARG . 8.6 tp -53.84 -48.59 61.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.325 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.581 ' N ' HG23 ' B' ' 29' ' ' ILE . 90.1 mtt180 -41.11 -45.33 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.181 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.417 HD12 HE22 ' B' ' 59' ' ' GLN . 64.9 mt -75.09 -54.0 15.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.406 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 2.5 tpt -44.31 -29.96 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.892 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.68 -66.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.618 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.53 -33.33 63.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.083 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' B' ' 37' ' ' VAL . 37.6 tp -64.2 -25.58 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 60.7 p -47.23 -18.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.331 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' B' ' 35' ' ' LEU . 3.5 p -177.11 82.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.324 0.583 . . . . 1.0 110.16 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 90.0 p -169.61 49.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.056 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -47.97 126.85 11.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.329 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.14 -178.49 6.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.652 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.1 t -69.37 163.08 25.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.504 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.435 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.2 p -74.9 -38.89 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.376 -177.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.435 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -83.85 -60.94 1.9 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.665 -0.574 . . . . 1.0 111.665 -177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -40.7 -55.66 2.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 1.0 111.349 -177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 tt -46.43 -29.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.596 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' B' ' 47' ' ' HIS . 14.5 p -75.62 -61.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.191 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.491 ' N ' ' OG ' ' B' ' 46' ' ' SER . 27.2 m80 -50.7 -53.66 29.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.063 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -52.18 -57.39 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.043 -178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 mt -73.99 8.68 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.021 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 m120 58.41 70.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 1.0 111.168 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 63.9 mt -136.94 145.62 44.46 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.809 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.473 ' C ' ' H ' ' B' ' 54' ' ' SER . 32.3 t -81.62 123.71 28.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.563 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -62.64 3.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.147 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.473 ' H ' ' C ' ' B' ' 52' ' ' SER . 18.4 m -80.53 -49.6 11.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 1.0 110.455 179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' B' ' 59' ' ' GLN . 43.1 t30 -84.92 -44.62 13.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.916 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.528 ' O ' ' N ' ' B' ' 59' ' ' GLN . 93.3 t -41.53 -80.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.31 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -41.75 -45.36 3.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.237 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -68.74 -23.33 64.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.592 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' B' ' 56' ' ' VAL . 32.8 tt0 -71.87 -44.58 63.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.82 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.18 -42.98 96.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 1.0 110.51 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -47.0 -49.07 21.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.352 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.47 ' C ' HD23 ' B' ' 62' ' ' LEU . 2.0 tt -54.8 -72.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 1.0 109.899 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.9 mt -40.15 -51.47 2.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.242 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -60.07 -27.03 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.189 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.438 ' N ' ' O ' ' B' ' 62' ' ' LEU . 15.9 m -76.34 -24.46 54.25 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.977 -0.289 . . . . 1.0 111.031 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.542 ' O ' ' CG ' ' B' ' 67' ' ' HIS . 2.4 t -77.87 9.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.696 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' B' ' 66' ' ' VAL . 9.1 p-80 58.29 15.13 3.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.651 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 70.1 mt -86.27 -68.87 0.71 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.867 0.365 . . . . 1.0 110.084 175.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.8 t -86.1 145.51 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.876 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -122.91 -175.1 3.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.052 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.15 129.82 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.786 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -89.6 136.28 33.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.571 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -79.15 114.09 17.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.572 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -132.78 102.12 5.54 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.33 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.12 -148.1 48.52 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.919 -0.873 . . . . 1.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -60.83 -61.05 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 1.0 110.544 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.445 ' C ' ' SD ' ' B' ' 78' ' ' MET . 20.6 t -78.2 -174.96 3.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.787 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.567 ' N ' ' SD ' ' B' ' 78' ' ' MET . 1.7 mpt? -143.07 132.7 23.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.133 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 15.4 mm -88.15 118.01 32.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.944 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -76.41 153.1 35.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.199 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 32.2 t -169.81 158.39 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 1.0 110.769 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 mt -76.23 -153.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.652 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -158.5 -49.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.11 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -81.6 96.45 7.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.125 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.611 HD12 ' C ' ' B' ' 85' ' ' ILE . 2.3 pp -69.51 -2.5 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.685 -178.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.588 ' N ' HD12 ' B' ' 85' ' ' ILE . 33.2 m-70 -79.07 -33.64 44.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.307 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 63.6 t -71.82 -40.75 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.589 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.57 -46.6 80.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.392 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 39.9 p -70.21 -43.67 70.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.52 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 27.1 ttt -52.5 -28.29 19.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.552 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.468 ' O ' HD23 ' B' ' 91' ' ' LEU . 2.2 tt -73.93 -59.3 2.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 1.0 109.958 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -53.65 -33.61 55.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.245 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -61.83 -28.1 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.278 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.69 -48.67 30.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.514 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.47 ' O ' HG22 ' B' ' 95' ' ' ILE . 87.0 mt -76.14 -8.52 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.555 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -82.29 -36.37 27.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.597 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -78.62 -35.98 44.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.637 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.21 91.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.518 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -77.3 -170.57 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.78 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 59.08 66.98 2.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.786 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -45.49 155.48 0.45 Allowed 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.732 2.288 . . . . 1.0 112.247 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -160.87 -79.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.61 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.592 179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.9 p -66.03 -145.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.507 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -159.84 0.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -87.48 -59.56 2.22 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.452 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.6 mt -79.08 -30.6 44.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.438 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -50.57 -43.89 56.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.778 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -67.46 -36.86 82.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 1.0 110.569 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.2 t -68.49 -23.99 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.015 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.3 p -82.13 -17.43 46.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.509 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -79.38 -32.93 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.62 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.87 -60.38 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.752 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' CD1' ' B' ' 23' ' ' LEU . 64.2 m-85 -58.03 -42.27 84.99 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.736 -0.385 . . . . 1.0 110.842 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -58.81 -32.94 69.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.698 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.93 97.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.898 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp -37.38 118.53 0.64 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.457 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.03 -139.0 7.99 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.057 -0.817 . . . . 1.0 111.057 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -78.67 147.64 33.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 1.0 110.714 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.475 ' C ' ' H ' ' A' ' 28' ' ' ARG . 9.1 m-85 -45.3 -38.21 5.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.883 -179.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -49.61 -11.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.475 ' H ' ' C ' ' A' ' 26' ' ' TYR . 62.2 ttt180 -64.77 -52.34 57.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.787 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.5 mt -50.63 -56.93 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.774 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.9 mtp-105 -45.16 -66.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.891 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.63 -54.54 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.668 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.442 ' C ' ' SD ' ' A' ' 32' ' ' MET . 1.6 tmt? -49.18 -34.26 14.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.85 -179.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.72 -67.77 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.056 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.08 -32.54 73.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.731 -177.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.96 -17.38 61.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.43 . . . . 1.0 110.273 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.9 p -80.38 -14.02 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.591 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.9 t -157.36 89.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 1.0 109.756 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 39' ' ' GLU . 4.2 t 179.84 -53.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.682 -0.407 . . . . 1.0 111.28 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' SER . 14.1 mm-40 56.16 107.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 1.0 110.123 -177.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.11 -177.01 6.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.834 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.6 t -69.71 169.46 12.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.516 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.4 m -80.94 -34.83 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.91 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.36 -58.88 2.11 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.235 -0.746 . . . . 1.0 111.235 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -44.07 -53.99 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.32 . . . . 1.0 110.968 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.8 tt -47.74 -29.08 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.685 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -76.25 -62.3 1.66 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.152 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -56.82 -49.9 74.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.122 -178.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -47.54 -50.35 23.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.877 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.0 mt -80.2 17.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.051 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 55.01 76.83 0.24 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 1.0 110.561 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.1 tp -155.46 156.52 35.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.282 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -78.58 113.18 16.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.606 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.495 ' C ' ' H ' ' A' ' 55' ' ' ASN . 22.7 tt0 -48.67 -51.1 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.983 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.7 p -50.28 -9.16 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.036 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.495 ' H ' ' C ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -81.31 -59.73 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.447 -178.081 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 57' ' ' SER . 3.1 m -51.4 -48.63 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.978 -176.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.527 ' N ' HG23 ' A' ' 56' ' ' VAL . 58.5 m -42.86 -42.13 3.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.853 0.359 . . . . 1.0 111.07 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -78.91 -31.25 45.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.643 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -69.36 -54.32 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.175 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.8 mt -56.64 -46.48 80.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.538 -0.301 . . . . 1.0 111.075 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' CB ' ' HZ2' ' A' ' 61' ' ' LYS . 7.7 ttpm? -42.02 -61.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.384 -0.371 . . . . 1.0 111.355 -177.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.4 tp -51.7 -70.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.688 -178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.9 mp -42.49 -53.71 4.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.811 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -44.3 -44.05 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.836 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 14.3 t -69.75 -18.9 63.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.401 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 25.5 t -80.29 -7.04 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.952 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 65' ' ' SER . 1.3 m170 78.6 18.74 0.96 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.39 178.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.9 mt -81.36 -81.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 1.0 110.269 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.1 m -77.14 154.62 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.601 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -127.72 128.01 44.65 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.214 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.9 127.01 35.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.958 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -96.08 137.8 34.62 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.293 178.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -80.63 105.32 11.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.669 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 77' ' ' SER . 61.0 mt-30 -139.98 125.25 18.85 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.963 0.411 . . . . 1.0 110.985 -178.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 77' ' ' SER . . . 33.52 98.57 0.01 OUTLIER Glycine 0 CA--C 1.528 0.894 0 CA-C-N 115.47 -0.787 . . . . 1.0 112.384 177.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 52.8 -83.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.673 0.273 . . . . 1.0 111.12 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 75' ' ' GLY . 35.9 p -63.75 -177.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.69 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 77' ' ' SER . 9.9 mmt -128.46 114.19 16.48 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 109.933 -0.395 . . . . 1.0 109.933 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 97.0 mt -79.06 115.13 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.332 . . . . 1.0 110.706 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -72.96 147.54 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.651 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -160.69 147.03 15.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.716 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -84.99 129.06 34.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.5 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -81.7 -55.3 4.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.585 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -81.49 97.85 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.537 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.4 pt -78.56 15.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.66 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.99 -59.77 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.76 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 m -53.41 -27.25 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.53 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -43.11 99.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.74 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 58.9 p -76.66 -23.51 53.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.915 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 61.8 mmm -75.6 -29.09 59.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.668 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.505 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 23.5 tp -73.56 -47.51 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.408 ' HB3' ' HZ2' ' A' ' 92' ' ' LYS . 16.1 mtpp -52.6 -59.49 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.906 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -47.78 -27.72 2.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.741 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -69.77 -36.04 75.43 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.527 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 9.0 mm -76.71 -7.46 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.776 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -83.87 -61.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 1.0 110.631 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -53.84 -56.47 17.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.755 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 46.44 58.1 4.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.492 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.55 ' N ' HD22 ' A' ' 99' ' ' ASN . 0.0 OUTLIER -65.98 -131.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.603 -179.161 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 58.81 58.66 5.73 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.726 0.298 . . . . 1.0 110.584 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.9 169.9 21.24 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.726 2.284 . . . . 1.0 111.99 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -55.78 -57.72 10.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.673 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 36.3 t30 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.488 ' C ' ' H ' ' B' ' 12' ' ' THR . 60.5 m -159.07 -59.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.523 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.9 6.14 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.587 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.488 ' H ' ' C ' ' B' ' 10' ' ' THR . 22.1 p -69.94 -60.38 2.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.023 -178.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.8 mt -77.88 -22.32 49.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.12 -177.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -58.54 -37.69 76.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 1.0 111.074 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 ttm105 -58.03 -58.22 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 1.0 110.937 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 m -64.76 -15.72 18.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.866 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 45.2 m -80.87 -27.12 36.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.059 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -72.24 -35.62 68.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.084 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 pt -68.49 -40.66 82.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.448 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -61.71 -42.2 98.62 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.229 -0.588 . . . . 1.0 110.47 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -61.74 -22.33 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.826 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.58 92.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.676 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.413 ' CD1' ' CD1' ' A' ' 20' ' ' PHE . 16.5 mt -50.86 146.26 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.543 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.2 -104.77 0.33 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.59 -1.004 . . . . 1.0 110.59 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -77.73 130.2 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 1.0 110.473 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' B' ' 28' ' ' ARG . 40.0 p90 -57.33 -33.83 68.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.777 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -46.45 -15.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.73 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' B' ' 26' ' ' TYR . 16.5 mtp180 -63.02 -37.04 85.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.609 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.4 -51.71 64.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.813 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -47.48 -53.43 14.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.131 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 pt -68.9 -41.65 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.175 -177.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.0 mtt -57.55 -36.28 71.42 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.951 -0.3 . . . . 1.0 110.605 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -70.56 -26.72 63.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.885 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 tp -80.16 -42.5 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.224 -178.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.07 -17.5 61.41 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.687 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 29.7 t -73.08 -18.68 61.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 1.0 110.347 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 t -148.3 56.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.184 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 11.7 p -174.19 178.81 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.386 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -157.44 121.56 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.071 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.97 -177.71 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.2 p -76.92 -173.27 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.547 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.52 HG13 ' N ' ' B' ' 43' ' ' GLY . 13.5 p -92.78 -41.87 12.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.512 . . . . 1.0 111.225 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.52 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -86.78 -21.36 50.89 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.511 -0.636 . . . . 1.0 111.511 -177.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -73.95 -40.38 63.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.724 0.297 . . . . 1.0 110.834 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 25.0 pt -69.25 -21.05 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.892 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 27.7 p -78.17 -42.83 30.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.052 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -67.46 -52.09 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.95 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -54.83 -49.93 69.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.004 -178.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 34.6 mt -75.84 8.31 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 1.0 111.167 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 62.05 67.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.745 0.307 . . . . 1.0 110.962 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' B' ' 46' ' ' SER . 56.3 mt -136.48 144.94 44.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.876 178.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.455 ' C ' ' H ' ' B' ' 54' ' ' SER . 30.9 t -78.48 117.96 20.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.617 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -57.65 -3.79 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.058 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.455 ' H ' ' C ' ' B' ' 52' ' ' SER . 13.5 m -86.04 -24.02 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.565 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -92.05 -40.02 11.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.142 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.649 HG13 ' N ' ' B' ' 57' ' ' SER . 13.6 p -45.92 -55.95 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.832 -177.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.649 ' N ' HG13 ' B' ' 56' ' ' VAL . 8.8 t -42.91 -40.59 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.779 0.323 . . . . 1.0 110.982 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' B' ' 58' ' ' HIS . 1.4 m-70 -74.65 -32.53 62.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.358 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.517 ' O ' ' NE2' ' B' ' 59' ' ' GLN . 0.0 OUTLIER -59.65 -71.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.252 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 63' ' ' LEU . 12.4 mt -43.08 -58.59 2.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.228 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -37.22 -67.96 0.16 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.825 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 41.6 tp -59.6 -20.16 53.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.696 -178.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.479 HD13 ' O ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -82.63 -46.47 13.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.659 -177.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' B' ' 66' ' ' VAL . 61.2 tttm -86.1 -26.43 25.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.081 -178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -66.05 6.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.763 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.488 ' H ' ' C ' ' B' ' 64' ' ' LYS . 46.6 t -114.53 -1.87 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.477 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.459 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 6.1 m-70 78.13 19.62 1.03 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.431 -0.35 . . . . 1.0 110.992 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 60.3 mt -80.92 -85.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.825 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 m -76.17 161.1 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.17 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -132.2 -163.47 1.34 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.694 178.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.2 -171.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 1.0 111.08 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -147.5 143.12 27.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.905 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -80.56 116.85 20.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.061 0.458 . . . . 1.0 110.666 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -128.73 91.43 3.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.676 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.24 -141.06 33.45 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -74.35 -37.96 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 1.0 110.661 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 55.2 p -80.21 -172.86 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.671 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 40.3 mtp -147.39 113.24 5.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.102 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 14.6 mt -85.04 110.04 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.727 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -78.81 154.4 29.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.615 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 5.7 m -166.61 150.04 7.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.896 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.581 HD12 ' N ' ' B' ' 82' ' ' LEU . 7.5 mp -82.39 113.98 20.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.972 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' B' ' 84' ' ' ASP . 7.2 p-10 -78.41 -64.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.713 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.454 ' H ' ' CG ' ' B' ' 83' ' ' ASP . 39.6 p-10 -68.43 99.59 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.754 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 pt -81.09 9.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.086 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -64.57 -54.46 31.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.801 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.37 -20.14 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.824 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.59 96.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.456 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 47.2 p -73.85 -41.69 61.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.389 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 11.8 mmt -58.27 -25.94 62.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.456 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.11 -43.39 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.424 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -65.01 -58.31 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.606 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -45.72 -36.78 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.761 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.16 -54.11 14.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.725 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.467 ' O ' HG22 ' B' ' 95' ' ' ILE . 72.4 mt -68.03 -5.44 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.681 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -77.01 -59.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.634 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' B' ' 99' ' ' ASN . 26.5 t-80 -80.86 -32.46 34.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.404 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 54.78 -82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.597 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' B' ' 97' ' ' HIS . 5.4 t-20 -172.72 -162.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.344 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.499 ' H ' ' CG ' ' B' ' 99' ' ' ASN . 0.0 OUTLIER -176.32 66.12 0.23 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.163 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -79.07 -27.94 4.18 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.587 2.191 . . . . 1.0 112.505 -177.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -78.58 112.29 15.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.932 -1.032 . . . . 1.0 110.554 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.645 HD22 ' N ' ' A' ' 9' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.8 p -84.32 -170.87 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.504 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -159.71 -29.17 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.771 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.2 p -103.97 -44.09 5.11 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.591 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.3 mt -79.1 -9.89 59.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.88 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' O ' ' OG1' ' A' ' 17' ' ' THR . 22.0 pt-20 -56.22 -14.97 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.541 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -81.92 -61.62 1.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.005 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.8 m -55.13 -17.51 2.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.538 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.45 ' HB ' ' HZ2' ' A' ' 21' ' ' LYS . 24.3 p -75.92 -50.09 15.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.476 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -50.94 -19.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.425 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 19' ' ' ILE . 12.3 mt -81.1 -62.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.119 -179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -57.91 -44.41 86.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.277 -177.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HZ2' ' HB ' ' A' ' 17' ' ' THR . 29.5 mtmm -57.19 -49.12 76.99 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.655 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.508 ' C ' ' H ' ' A' ' 24' ' ' GLY . . . -47.89 -39.79 19.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 1.0 110.403 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 25' ' ' ASP . 4.5 tp -63.44 9.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.996 -0.547 . . . . 1.0 111.625 -177.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 22' ' ' ALA . . . -64.15 68.34 0.05 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.037 -0.825 . . . . 1.0 111.037 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' LEU . 12.2 t0 -177.63 159.3 1.45 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.77 -0.455 . . . . 1.0 109.77 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 11.6 m-85 -99.68 -52.36 3.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.007 0.432 . . . . 1.0 110.179 178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -64.75 3.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.074 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 26' ' ' TYR . 1.2 tmm_? -53.98 -57.64 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.178 -0.305 . . . . 1.0 110.178 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.1 mt -65.68 -36.33 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.894 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -51.17 -60.11 3.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.801 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mm -49.7 -32.76 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.695 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.7 mmt -79.18 -17.57 54.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.087 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 37' ' ' VAL . 76.6 tt0 -73.68 -35.17 65.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.134 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.5 tp -91.38 -37.43 13.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.757 -178.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.446 ' C ' HD23 ' A' ' 35' ' ' LEU . 2.9 tt -67.65 -61.37 1.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.924 0.393 . . . . 1.0 110.475 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 t -43.79 -23.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 1.0 111.07 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 33' ' ' GLU . 97.1 t -79.72 -32.2 14.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.078 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 39' ' ' GLU . 21.4 p -164.33 -139.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.688 -0.405 . . . . 1.0 111.122 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' N ' ' OG ' ' A' ' 38' ' ' SER . 6.8 tp10 -149.94 148.5 29.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.175 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.39 -177.37 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.486 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.523 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 6.7 p -74.91 176.53 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.209 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 43' ' ' GLY . 16.0 m -78.44 -40.39 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.385 -0.37 . . . . 1.0 111.027 -178.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.488 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -82.23 -41.89 9.03 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 20.8 m170 -45.35 -30.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 1.0 110.788 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 93.6 mt -79.72 -25.68 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.751 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' GLY . 47.6 p -67.85 -52.31 38.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.052 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -74.73 -49.62 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.138 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' C ' ' H ' ' A' ' 50' ' ' ASN . 97.3 mt-30 -58.42 -60.6 3.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.865 0.364 . . . . 1.0 111.056 -178.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.499 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -67.68 2.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.303 -177.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 48' ' ' GLN . 14.1 m120 57.94 77.11 0.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.556 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.0 tp -157.97 157.83 33.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.224 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.6 m -79.24 113.16 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.715 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -52.46 -49.06 65.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.007 0.432 . . . . 1.0 110.684 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.7 t -39.52 -34.84 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.271 -179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -84.05 -43.84 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.479 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.1 t -42.47 -68.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.017 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.5 t -45.59 -38.57 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.847 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -71.82 -30.19 65.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.059 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -70.59 -49.12 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.551 -0.295 . . . . 1.0 111.079 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 mt -53.0 -53.53 48.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 1.0 110.999 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -40.12 -54.65 2.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.431 -178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.71 -55.51 16.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.681 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 63' ' ' LEU . 7.5 mp -63.06 -57.66 9.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.648 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -46.16 -20.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.998 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' A' ' 66' ' ' VAL . 12.1 p -81.25 -53.52 6.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 1.0 111.047 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.408 ' N ' ' OG ' ' A' ' 65' ' ' SER . 4.3 m -78.59 22.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.422 -177.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 69.0 t60 61.59 19.73 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.851 0.686 . . . . 1.0 112.851 174.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.7 mt -75.44 -20.04 59.1 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.338 -0.545 . . . . 1.0 110.285 177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -150.48 145.55 16.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.198 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 81' ' ' SER . 55.4 tttp -121.44 107.98 13.11 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.269 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.77 134.14 34.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.771 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.77 133.08 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.31 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -114.67 89.21 3.04 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.207 -0.452 . . . . 1.0 109.884 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -104.53 123.02 46.77 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.978 0.418 . . . . 1.0 110.282 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.44 -119.93 17.37 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.314 -0.714 . . . . 1.0 111.314 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -102.34 -35.03 8.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.784 0.326 . . . . 1.0 110.743 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.6 p -67.35 167.29 12.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.554 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.0 ptm -151.39 136.59 17.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.398 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 79' ' ' ILE . 13.1 mt -142.33 126.78 16.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.303 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.424 ' O ' ' OE2' ' A' ' 39' ' ' GLU . 57.9 m-85 -77.29 133.55 38.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 1.0 110.825 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 70' ' ' LYS . 37.9 p -140.54 133.05 28.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.654 -178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.8 tp -82.22 102.28 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.089 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 85' ' ' ILE . 8.7 t70 -72.1 -51.62 20.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.58 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.86 83.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.662 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' ASP . 9.8 tp -73.89 -24.88 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.466 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 89' ' ' THR . 16.2 t-80 -67.76 -54.94 15.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.655 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.6 t -47.49 -22.14 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.409 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.75 -30.16 45.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.64 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' HIS . 42.9 m -75.84 -46.11 32.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.609 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 51.4 mtm -62.56 -24.07 67.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.674 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.4 -43.53 63.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.608 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -56.85 -63.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.734 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -45.63 -38.75 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.779 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.52 ' O ' ' CE1' ' A' ' 97' ' ' HIS . . . -63.7 -50.96 67.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.671 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 95' ' ' ILE . 71.1 mt -78.91 -9.28 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.719 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -77.42 -24.01 50.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.798 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -65.97 -3.83 5.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.712 -179.71 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.411 ' N ' ' ND1' ' A' ' 97' ' ' HIS . . . -74.59 41.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.676 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' A' ' 97' ' ' HIS . 1.1 t-20 -152.73 -43.26 0.1 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.674 -179.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 101' ' ' PRO . 62.1 t-80 57.57 73.94 0.71 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.735 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 100' ' ' HIS . 93.0 Cg_exo -45.93 179.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.787 2.325 . . . . 1.0 112.49 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -160.95 150.86 17.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.533 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.978 -1.011 . . . . 1.0 110.546 -179.87 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.576 HD22 HD11 ' B' ' 13' ' ' LEU . 18.2 t30 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.3 m -73.6 64.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.473 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -154.41 -65.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.4 m -57.61 -41.02 80.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.186 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.576 HD11 HD22 ' B' ' 9' ' ' ASN . 34.6 mt -68.47 -35.77 78.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.188 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -64.61 -27.88 69.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.961 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -68.43 -59.28 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 1.0 110.614 -179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.413 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 18.5 m -57.84 -10.52 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.59 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -82.06 -28.39 32.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.292 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -63.88 -41.86 97.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -63.9 -40.13 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.05 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.413 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 55.7 m-85 -75.46 -41.73 54.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.331 -0.548 . . . . 1.0 110.27 178.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -59.38 -28.5 66.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.336 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.18 95.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.514 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.0 mt -58.52 159.46 6.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.217 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.495 ' N ' ' NH1' ' B' ' 28' ' ' ARG . . . -179.93 -95.93 0.1 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.07 -0.812 . . . . 1.0 111.07 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' B' ' 27' ' ' ASN . 11.1 m-20 -52.5 102.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.743 0.306 . . . . 1.0 110.786 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -46.29 -14.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.107 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' B' ' 25' ' ' ASP . 2.3 m-20 -70.65 -7.62 45.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 1.0 110.583 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.495 ' NH1' ' N ' ' B' ' 24' ' ' GLY . 94.2 mtt180 -76.7 -16.5 59.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.68 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 20.3 mm -79.12 -69.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.516 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -41.96 -53.07 3.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.235 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.595 HG23 ' N ' ' B' ' 32' ' ' MET . 13.6 tt -56.79 -49.57 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.74 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.595 ' N ' HG23 ' B' ' 31' ' ' ILE . 26.8 ttt -47.31 -36.1 8.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.303 . . . . 1.0 110.762 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -65.87 -27.8 68.49 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.838 -0.345 . . . . 1.0 110.444 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.512 ' O ' HD23 ' B' ' 34' ' ' LEU . 0.8 OUTLIER -70.51 -39.41 74.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' B' ' 37' ' ' VAL . 3.5 mm? -54.95 -32.93 61.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 1.0 109.879 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 81.6 p -40.58 -21.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.905 0.383 . . . . 1.0 111.083 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' B' ' 35' ' ' LEU . 27.3 t -94.75 -56.32 5.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.048 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 3.8 t 68.56 71.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.843 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -172.99 64.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.711 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.04 159.69 26.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.497 -0.32 . . . . 1.0 110.727 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.4 p -71.58 167.5 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.277 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.72 -40.41 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.24 -177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -80.97 -48.03 6.29 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.468 -0.653 . . . . 1.0 111.468 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -43.52 -39.59 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.797 0.332 . . . . 1.0 111.126 -178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.468 ' O ' ' CD2' ' B' ' 49' ' ' LEU . 83.0 mt -64.61 -28.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.082 -179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 43' ' ' GLY . 5.3 m -65.27 -42.1 93.57 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.006 -0.277 . . . . 1.0 111.373 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.93 -43.1 11.41 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.283 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -35.75 -68.65 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.448 0.536 . . . . 1.0 112.448 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.628 ' H ' ' CD2' ' B' ' 49' ' ' LEU . 0.8 OUTLIER -93.96 23.85 4.63 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.646 0.239 . . . . 1.0 111.646 -176.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.47 94.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 1.0 110.797 177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.484 HD23 ' H ' ' B' ' 52' ' ' SER . 0.7 OUTLIER -159.14 142.05 14.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.255 -0.646 . . . . 1.0 109.255 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.484 ' H ' HD23 ' B' ' 51' ' ' LEU . 10.1 t -75.39 114.48 13.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.722 0.296 . . . . 1.0 110.603 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -5.45 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.387 . . . . 1.0 111.131 -178.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 64.7 m -85.71 -19.0 31.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.631 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.468 HD22 ' CB ' ' B' ' 52' ' ' SER . 10.1 m-80 -105.28 -18.98 13.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.306 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.59 HG13 ' N ' ' B' ' 57' ' ' SER . 8.8 p -71.43 -53.64 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.351 -0.54 . . . . 1.0 110.959 -177.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.59 ' N ' HG13 ' B' ' 56' ' ' VAL . 95.5 p -41.3 -55.29 2.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 1.0 111.4 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -63.64 -25.96 68.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.882 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' B' ' 56' ' ' VAL . 7.9 tt0 -69.18 -47.31 65.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 1.0 111.297 -177.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.83 -49.03 76.53 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.042 -0.263 . . . . 1.0 111.137 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm -42.4 -53.11 4.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.848 0.356 . . . . 1.0 110.779 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 46.2 tp -48.89 -68.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.431 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' B' ' 63' ' ' LEU . 15.6 mt -40.85 -45.74 2.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.361 -0.382 . . . . 1.0 111.358 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -63.82 -47.51 80.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.933 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.7 p -57.67 -35.83 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.272 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' B' ' 67' ' ' HIS . 19.2 t -77.7 -13.26 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.915 -178.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.44 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 2.1 t-80 82.51 14.35 0.45 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.328 0.393 . . . . 1.0 111.107 178.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.4 mt -78.12 -2.3 36.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 177.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.533 HG22 ' N ' ' B' ' 70' ' ' LYS . 4.3 p -169.01 162.24 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.36 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.533 ' N ' HG22 ' B' ' 69' ' ' VAL . 33.5 ttmt -151.65 130.47 12.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.349 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.13 133.25 42.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.796 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -89.99 156.26 18.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.367 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -103.4 103.48 13.47 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -98.59 109.68 22.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.767 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' B' ' 76' ' ' GLN . . . 40.67 46.43 3.75 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.78 -0.528 . . . . 1.0 111.78 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.497 ' CB ' ' O ' ' B' ' 75' ' ' GLY . 5.5 tp-100 95.03 -43.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.377 0.671 . . . . 1.0 110.551 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 32.2 t -63.69 178.02 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.571 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 11.8 ptp -153.13 142.02 21.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.428 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.2 mt -146.26 124.82 4.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.127 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -68.51 144.32 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.655 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 30.2 t -160.68 139.16 10.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -67.77 122.08 17.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.575 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -79.27 -68.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.553 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.04 104.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.654 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.508 ' H ' ' CD1' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -74.66 8.43 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.738 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -85.51 -46.26 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.909 -179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.42 HG13 ' N ' ' B' ' 88' ' ' ALA . 10.1 p -72.4 -36.88 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.952 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.42 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -56.69 -46.95 80.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.701 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 5.9 t -75.71 -18.35 59.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.94 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 27.5 ttt -80.54 -28.1 37.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 1.0 110.704 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.92 -39.93 69.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -61.56 -60.61 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.571 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -46.7 -34.02 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.876 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.44 -53.25 24.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.899 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.442 ' O ' HG22 ' B' ' 95' ' ' ILE . 66.6 mt -79.75 -7.92 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.637 -178.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -77.44 -68.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.702 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -44.24 -46.1 8.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.796 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 49.31 45.79 23.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.794 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 10.9 m120 45.23 -137.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.719 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 54.71 57.15 11.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.71 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.11 -97.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.689 2.259 . . . . 1.0 111.954 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -62.6 123.69 19.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.553 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.643 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 10.5 p-10 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 29.3 p -147.0 9.86 1.0 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.382 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -72.23 -35.46 68.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.64 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.4 p -68.82 -42.02 77.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.541 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.461 ' O ' HD23 ' A' ' 13' ' ' LEU . 2.7 tt -63.55 -48.42 77.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.933 0.397 . . . . 1.0 110.06 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -48.71 -25.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.66 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -68.65 -45.34 72.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.585 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.459 ' H ' HG23 ' A' ' 16' ' ' VAL . 3.2 t -61.9 -18.99 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.669 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.5 p -79.53 -28.34 41.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.107 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.26 -29.91 68.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.258 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.446 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 19.6 mt -66.82 -67.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.373 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -51.88 -42.56 62.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.572 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -64.26 -13.32 48.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.85 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -63.79 -50.34 69.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.847 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.576 ' N ' HD12 ' A' ' 23' ' ' LEU . 10.0 mp -53.48 170.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.33 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -162.59 -100.26 0.15 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.712 -0.955 . . . . 1.0 110.712 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 40.5 m-20 -79.13 129.23 34.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.689 0.28 . . . . 1.0 110.554 179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 28' ' ' ARG . 6.7 m-85 -42.94 -52.03 5.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.271 -178.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -48.09 -11.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.094 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 26' ' ' TYR . 58.0 ttt-85 -61.2 -40.11 92.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.778 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 92.1 mt -78.56 -42.84 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.708 -179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -53.24 -55.1 27.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.966 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 32' ' ' MET . 20.9 tt -62.14 -37.83 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.835 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.441 ' N ' HG23 ' A' ' 31' ' ' ILE . 69.7 mtp -68.75 -14.71 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.443 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 37' ' ' VAL . 30.7 tt0 -72.23 -64.06 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.492 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.8 tp -53.34 -32.69 50.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.355 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.45 ' C ' HD23 ' A' ' 35' ' ' LEU . 1.5 tt -69.09 -67.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.645 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 m -51.78 -24.5 6.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.982 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 33' ' ' GLU . 74.8 t -85.2 -23.01 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.483 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.9 t -169.95 132.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 1.0 110.638 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -81.85 152.15 27.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.657 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' HB3' ' CG2' ' A' ' 45' ' ' ILE . . . -162.2 -177.86 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.367 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.517 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 3.0 p -67.2 161.96 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.481 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.521 HG13 ' N ' ' A' ' 43' ' ' GLY . 8.4 p -68.78 -42.87 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.531 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.521 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -84.77 -56.67 2.43 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 121.328 -0.463 . . . . 1.0 112.062 -176.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.517 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 0.8 OUTLIER -40.01 -42.96 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.797 0.295 . . . . 1.0 111.797 -176.239 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.427 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 32.8 pt -61.76 -28.7 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.952 -0.299 . . . . 1.0 111.129 -177.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.4 p -70.27 -46.04 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.297 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -52.65 33.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.192 -177.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.14 -31.16 70.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.937 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.1 tp -81.82 -9.57 59.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.57 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 62.04 71.88 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.905 0.384 . . . . 1.0 109.993 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.3 tp -156.86 159.23 37.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.119 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.7 m -80.33 115.41 19.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.486 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 56' ' ' VAL . 4.0 pt20 -58.44 -46.05 87.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.422 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 53' ' ' GLN . 6.2 m -39.4 -37.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.283 -179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -81.48 -38.28 26.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.449 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 59' ' ' GLN . 88.0 t -52.34 -72.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.6 p -42.62 -39.49 2.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.03 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -75.79 -26.48 57.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.664 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 56' ' ' VAL . 47.0 tt0 -71.96 -50.19 31.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.936 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 mt -58.25 -38.29 76.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 1.0 110.498 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -46.2 -46.22 17.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.907 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.474 ' C ' HD23 ' A' ' 62' ' ' LEU . 2.0 tt -63.97 -66.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.422 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.9 mp -41.78 -52.14 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.857 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -44.47 -39.24 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 1.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 t -73.16 -24.1 60.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.879 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.469 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 6.8 t -80.57 -7.81 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.787 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.469 ' CG ' ' C ' ' A' ' 66' ' ' VAL . 8.4 m-70 75.64 18.58 2.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.52 -0.309 . . . . 1.0 111.198 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 41.7 mt -87.71 -24.26 23.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.651 -0.25 . . . . 1.0 110.642 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.9 m -139.32 133.99 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 120.924 0.392 . . . . 1.0 110.477 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.0 mmtt -107.82 131.8 54.09 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.273 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.71 155.85 19.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.481 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -155.25 138.92 16.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.676 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -97.66 106.07 18.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.25 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -152.72 158.15 41.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 1.0 110.735 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 47.03 -106.05 0.13 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.375 -0.69 . . . . 1.0 111.375 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.37 -72.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.712 0.291 . . . . 1.0 111.089 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 79' ' ' ILE . 47.9 m -165.55 -167.52 1.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.925 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 51.4 mtt -57.16 77.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.017 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 77' ' ' SER . 78.0 mt -80.62 137.0 22.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 177.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -88.11 135.88 33.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.755 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 95.5 p -159.68 137.03 9.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.477 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.506 ' H ' ' CD2' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -74.8 -167.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.839 -179.512 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -157.61 -39.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.55 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -67.96 89.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.411 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.1 tt -58.75 -15.0 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.636 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -63.18 -55.11 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.518 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.1 t -48.48 -41.82 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.531 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.79 -31.91 72.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.463 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 31.4 m -74.07 -48.53 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.591 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 34.7 ttm -43.38 -34.76 1.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.132 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 94' ' ' ALA . 35.1 mt -76.11 -58.89 3.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.525 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -44.58 -41.13 6.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.665 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.7 -34.61 78.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.306 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -66.55 -49.41 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.426 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.9 mm -68.92 -5.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.469 . . . . 1.0 110.139 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -98.12 -13.02 21.17 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.383 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -60.22 -50.03 75.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.65 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 50.43 68.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.355 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 11.0 m-80 -47.85 112.96 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.852 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 46.2 m80 -160.36 67.29 2.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.521 179.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 100' ' ' HIS . 84.7 Cg_exo -47.22 -178.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.59 2.193 . . . . 1.0 112.271 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -58.48 -42.98 88.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.504 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.976 -1.012 . . . . 1.0 110.549 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.428 ' O ' ' OE1' ' B' ' 14' ' ' GLU . 70.4 p -56.85 136.41 55.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.609 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.01 -10.73 4.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.407 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 78.9 m -74.67 -48.91 23.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.476 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.46 ' O ' HD23 ' B' ' 13' ' ' LEU . 3.3 tt -49.24 -51.89 30.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.216 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' B' ' 14' ' ' GLU . 2.5 mp0 -47.61 -41.19 21.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.703 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 49.7 ttt85 -67.05 -36.95 83.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.644 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.37 -20.77 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.79 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.6 p -81.88 -28.47 32.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.163 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -65.38 -29.75 70.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.34 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.443 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 61.0 mt -70.38 -60.39 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.568 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -59.61 -39.48 84.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.846 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -75.14 -8.3 56.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.431 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -59.28 -45.71 90.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.589 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.581 HD12 ' N ' ' B' ' 23' ' ' LEU . 9.0 mp -50.47 165.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.14 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.94 -76.86 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.742 -0.943 . . . . 1.0 110.742 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -77.56 -176.19 4.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.733 0.302 . . . . 1.0 110.422 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -100.1 -50.04 4.1 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.944 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -79.73 2.83 21.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.752 -176.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -63.19 -24.07 67.72 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.58 -0.448 . . . . 1.0 110.509 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.567 HG23 ' N ' ' B' ' 30' ' ' ARG . 15.4 tt -80.91 -45.16 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.65 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.567 ' N ' HG23 ' B' ' 29' ' ' ILE . 36.0 ttp180 -41.36 -46.27 3.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.235 -178.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' B' ' 34' ' ' LEU . 68.0 mt -57.64 -52.07 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.562 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 22.0 ttt -45.05 -40.45 6.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.718 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.58 -34.11 73.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.501 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' B' ' 31' ' ' ILE . 37.2 tp -71.54 -38.54 71.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.491 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 38' ' ' SER . 12.8 mt -70.67 -48.1 56.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.903 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.0 m -45.23 -22.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.783 0.325 . . . . 1.0 110.694 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.405 ' N ' ' C ' ' B' ' 35' ' ' LEU . 91.6 t -82.15 -40.78 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.371 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.429 ' N ' ' O ' ' B' ' 35' ' ' LEU . 14.1 p -176.1 -112.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.357 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -172.75 167.5 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 1.0 110.613 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.93 -177.85 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.622 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 3.4 t -62.57 159.05 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.45 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 t -72.75 -42.54 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.16 -178.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.02 -48.64 10.93 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.421 -0.671 . . . . 1.0 111.421 -178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -42.88 -63.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 1.0 111.122 -178.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 91.7 mt -39.1 -31.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.614 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -70.61 -47.14 61.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.433 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.48 ' C ' ' H ' ' B' ' 49' ' ' LEU . 23.5 m170 -78.94 -50.05 11.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.555 -176.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -68.8 11.78 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.969 -0.292 . . . . 1.0 111.319 -177.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' B' ' 47' ' ' HIS . 14.2 tp -133.65 1.2 3.35 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.92 0.39 . . . . 1.0 110.14 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 m120 60.02 63.23 1.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.707 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.415 HD11 HH21 ' B' ' 30' ' ' ARG . 98.1 mt -141.87 161.01 39.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.904 0.383 . . . . 1.0 110.134 176.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.483 ' C ' ' H ' ' B' ' 54' ' ' SER . 20.4 m -78.44 107.76 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.348 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -57.02 -4.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.852 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.517 ' O ' ' CD2' ' B' ' 58' ' ' HIS . 72.7 m -72.04 -44.85 62.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.531 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -81.94 -37.13 27.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.728 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 95.3 t -41.75 -71.06 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.213 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 12.5 m -47.44 -36.47 10.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.975 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' B' ' 54' ' ' SER . 10.3 m-70 -74.14 -24.81 59.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.24 -178.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -74.3 -45.14 49.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.806 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 mt -56.14 -42.38 76.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.327 . . . . 1.0 110.681 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -45.27 -62.22 1.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.927 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.475 ' C ' HD23 ' B' ' 62' ' ' LEU . 1.9 tt -53.24 -66.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.75 -178.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.457 HD12 ' N ' ' B' ' 63' ' ' LEU . 8.4 mp -43.95 -48.39 8.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.652 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -46.12 -34.21 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.714 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.0 m -81.3 -27.62 34.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.988 -178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 8.0 t -75.66 -12.53 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.764 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 t60 78.62 17.47 1.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.285 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.98 -10.06 55.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.758 0.313 . . . . 1.0 110.53 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -153.53 149.95 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.368 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -120.51 -163.2 0.99 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.252 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.28 156.16 23.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.444 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -154.48 160.92 41.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 1.0 110.51 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -140.01 121.87 15.5 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.892 -0.595 . . . . 1.0 109.943 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.477 ' C ' ' H ' ' B' ' 76' ' ' GLN . 42.7 tt0 -151.41 88.36 1.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.861 0.362 . . . . 1.0 110.808 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.3 -30.01 0.99 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.02 -0.832 . . . . 1.0 111.02 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' B' ' 74' ' ' GLN . 82.2 mt-30 -85.88 -104.47 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.58 0.229 . . . . 1.0 110.415 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 57.1 m -160.64 -167.68 1.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 1.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 53.9 mtt -74.94 75.62 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.398 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 82.4 mt -92.17 117.99 36.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.752 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -75.43 153.52 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.659 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -170.07 -152.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.402 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.594 ' H ' HD23 ' B' ' 82' ' ' LEU . 0.6 OUTLIER -157.01 -168.82 2.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.454 179.295 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -159.48 -24.42 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.216 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' B' ' 84' ' ' ASP . 25.0 p-10 -71.25 91.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.869 0.366 . . . . 1.0 110.793 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' B' ' 88' ' ' ALA . 17.9 tt -74.16 -12.24 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.447 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -54.29 -57.22 12.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.874 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.82 -28.96 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.754 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 85' ' ' ILE . . . -54.51 -45.28 73.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 1.0 110.738 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 30.8 p -70.41 -43.37 70.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.789 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 71.2 mmm -42.65 -36.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.199 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 24.5 mt -76.23 -43.26 42.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.806 0.336 . . . . 1.0 110.432 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -64.32 -55.96 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.684 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -50.32 -30.62 12.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.688 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.501 ' O ' ' ND1' ' B' ' 97' ' ' HIS . . . -74.99 -43.68 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.699 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.443 ' O ' HG22 ' B' ' 95' ' ' ILE . 77.1 mt -79.87 -10.22 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.603 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -26.57 35.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.529 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.569 ' ND1' ' N ' ' B' ' 98' ' ' ALA . 0.2 OUTLIER -45.64 -33.3 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.624 179.588 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.569 ' N ' ' ND1' ' B' ' 97' ' ' HIS . . . 53.89 6.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.05 178.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.52 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 15.4 t-20 46.59 44.27 13.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 1.0 110.616 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' B' ' 99' ' ' ASN . 64.9 m-70 -160.17 59.07 1.19 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.464 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -76.33 9.89 2.34 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.759 2.306 . . . . 1.0 112.026 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp 53.37 -159.21 0.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.489 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.955 -1.021 . . . . 1.0 110.383 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.2 p 49.41 68.1 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.384 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -51.81 -37.26 50.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.828 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 16' ' ' VAL . 47.1 p -56.83 -48.41 78.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.821 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.3 mt -81.82 -32.83 31.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.753 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' OG1' ' A' ' 17' ' ' THR . 59.8 tt0 -49.39 -44.26 44.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.735 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -73.58 -34.11 64.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.725 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 12' ' ' THR . 58.3 t -73.2 -23.52 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.671 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 14' ' ' GLU . 13.3 p -77.15 -21.31 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.148 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -77.35 -31.44 54.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.464 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 60.8 mt -61.73 -57.57 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.593 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -59.84 -41.7 91.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.81 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -63.89 -5.09 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.796 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -79.41 -41.71 27.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 1.0 110.554 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.7 mt -38.53 120.37 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.323 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.25 -128.57 4.55 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.658 -0.977 . . . . 1.0 110.658 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 26' ' ' TYR . 21.0 t0 -80.69 141.02 35.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.701 0.286 . . . . 1.0 110.485 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.429 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 23.0 m-85 -46.44 -29.59 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.98 -178.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.402 ' OD1' ' NH2' ' A' ' 30' ' ' ARG . 22.6 m-80 -60.89 -6.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 1.0 110.67 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.476 ' HE ' HD21 ' A' ' 63' ' ' LEU . 57.6 ttt-85 -62.23 -48.97 77.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.137 -178.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.595 HG23 ' N ' ' A' ' 30' ' ' ARG . 10.4 tp -53.25 -48.0 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.746 -178.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.595 ' N ' HG23 ' A' ' 29' ' ' ILE . 41.5 ttp180 -44.68 -53.15 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.794 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' LEU . 80.0 mt -67.74 -54.78 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.75 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 32' ' ' MET . 1.9 tmt? -43.29 -29.51 0.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.033 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -75.75 -36.77 59.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.627 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 31' ' ' ILE . 32.3 tp -60.4 -37.1 79.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.507 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.501 ' N ' HD22 ' A' ' 35' ' ' LEU . 3.3 mm? -65.46 -45.41 83.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.185 179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -46.33 -25.03 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.361 . . . . 1.0 110.585 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.424 ' O ' ' OG ' ' A' ' 38' ' ' SER . 12.5 t -84.92 -50.73 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.987 -179.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 47.5 m -167.66 -131.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.609 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 1.6 pm0 -154.12 160.99 42.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.351 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -160.36 -177.77 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.587 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 p -76.58 174.6 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.378 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.9 t -73.02 -42.07 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.079 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.3 -49.85 7.98 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.538 -0.625 . . . . 1.0 111.538 -178.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -43.02 -53.67 4.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.833 0.349 . . . . 1.0 110.968 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.2 mt -54.03 -33.97 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 m -69.94 -71.84 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 1.0 111.203 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -57.08 -48.16 79.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.204 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -37.23 -68.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 1.0 112.037 -176.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.469 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 0.6 OUTLIER -97.36 38.29 1.28 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 122.335 -0.228 . . . . 1.0 111.517 -178.687 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 49' ' ' LEU . 8.2 p30 45.88 98.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.275 0.559 . . . . 1.0 111.756 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' CD1' ' NH2' ' A' ' 30' ' ' ARG . 6.9 tp -164.3 152.31 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.472 -0.785 . . . . 1.0 109.508 176.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.4 p -80.37 114.28 19.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.721 0.296 . . . . 1.0 111.125 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -66.22 -2.46 4.34 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.813 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 t -70.64 -46.37 63.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.611 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 59' ' ' GLN . 35.7 t30 -79.35 -35.29 41.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.785 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.5 t -45.58 -76.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.879 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.6 p -42.8 -44.88 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.239 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.13 -24.79 60.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.826 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.519 ' N ' ' O ' ' A' ' 55' ' ' ASN . 7.8 tt0 -73.0 -51.89 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.905 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.27 -31.7 72.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.34 . . . . 1.0 110.664 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -51.77 -58.5 6.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.571 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.4 tp -47.96 -56.45 7.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.465 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 63' ' ' LEU . 7.7 mp -52.19 -48.93 64.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.716 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -45.92 -50.01 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 1.0 110.905 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.0 m -65.66 -32.67 74.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.797 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 66' ' ' VAL . 92.1 t -76.57 -7.32 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.658 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.6 m80 68.15 17.08 9.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.726 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -76.99 -9.85 58.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.033 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -152.03 147.13 15.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.402 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -96.89 128.52 43.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.158 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.8 103.05 15.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.931 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 79' ' ' ILE . 81.7 tttt -92.49 119.29 31.83 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.727 -0.471 . . . . 1.0 109.727 177.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -140.48 123.97 16.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.097 0.475 . . . . 1.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 76' ' ' GLN . 8.3 tt0 -89.94 121.93 32.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.868 -0.605 . . . . 1.0 109.644 177.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.07 -94.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.465 -1.054 . . . . 1.0 110.465 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' GLN . 24.8 mt-30 -125.41 87.7 2.74 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.9 t -173.69 124.4 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 35.3 mtt -87.12 121.08 29.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.085 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.422 ' O ' ' O ' ' A' ' 72' ' ' LYS . 10.5 mt -146.36 100.34 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.144 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -82.03 146.51 29.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 1.0 110.926 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.9 p -165.64 149.61 8.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.804 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.38 120.23 28.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.48 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -84.15 -13.56 52.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -76.19 146.25 39.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.516 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.606 HD12 ' N ' ' A' ' 86' ' ' HIS . 2.1 pp -111.51 0.7 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.298 178.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.606 ' N ' HD12 ' A' ' 85' ' ' ILE . 2.2 t60 -89.44 -61.57 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.643 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.2 t -45.6 -48.49 4.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.753 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.94 -52.62 23.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.993 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.9 p -72.57 -46.87 52.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.739 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 90' ' ' MET . 1.5 tmt? -47.08 -27.39 1.35 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.456 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 tp -72.67 -55.21 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 96' ' ' HIS . 0.7 OUTLIER -56.82 -47.55 80.02 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 178.41 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -48.08 -37.39 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.91 -51.36 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.486 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 95' ' ' ILE . 76.4 mt -76.28 -6.79 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.446 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 92' ' ' LYS . 69.1 t60 -71.94 -45.33 61.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.37 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -56.85 -23.17 42.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.521 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.09 -33.86 44.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.607 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 5.0 m120 -67.07 -176.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.899 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 38.8 m80 -159.98 67.94 2.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.449 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -43.11 95.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.72 2.28 . . . . 1.0 112.45 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -75.29 -23.17 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.627 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.566 179.738 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.437 ' N ' ' HG1' ' B' ' 12' ' ' THR . 12.8 t-20 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 40.9 p 42.45 28.84 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.124 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -159.8 -62.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.75 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.437 ' HG1' ' N ' ' B' ' 9' ' ' ASN . 47.2 p -70.0 -37.14 75.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.555 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 tp -52.64 -48.4 66.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.98 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -47.71 -28.6 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -82.07 -24.26 35.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.969 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 22.5 t -74.82 -27.03 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.967 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.423 ' H ' HG22 ' B' ' 17' ' ' THR . 2.0 t -81.9 -29.93 32.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.139 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -59.49 -38.99 82.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.191 178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.77 -68.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.409 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -50.9 -40.96 58.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.673 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -59.14 -32.84 70.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.9 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.23 -44.84 79.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.845 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 tp -37.6 113.69 0.28 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.477 -178.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.87 -139.54 8.21 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.97 141.31 45.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 1.0 110.713 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.523 ' CE2' ' OD1' ' B' ' 27' ' ' ASN . 29.9 p90 -47.44 -22.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.767 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.523 ' OD1' ' CE2' ' B' ' 26' ' ' TYR . 30.8 m-20 -59.95 -9.56 3.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 1.0 110.407 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -68.92 -37.52 78.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.796 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mt -58.78 -63.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.596 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -43.11 -46.0 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.81 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.68 -57.29 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.436 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 36.0 tpp -48.88 -37.9 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.847 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -56.17 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.729 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 56.3 tp -46.34 -27.76 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.481 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -60.48 -34.38 73.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.106 0.479 . . . . 1.0 109.926 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.5 t -40.65 -21.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.279 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' B' ' 35' ' ' LEU . 2.1 p -175.36 86.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.331 0.586 . . . . 1.0 110.1 178.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 29.2 m -171.88 179.99 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.868 -0.605 . . . . 1.0 110.643 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -174.59 124.8 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.314 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.33 -177.61 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 1.0 110.825 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 89.1 p -78.68 -177.74 5.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.502 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 t -77.87 -33.93 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.737 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.39 -51.11 4.77 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.137 -0.785 . . . . 1.0 111.137 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -44.79 -65.65 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 1.0 110.875 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.416 HG23 ' N ' ' B' ' 46' ' ' SER . 18.8 tt -50.29 -36.27 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.639 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.416 ' N ' HG23 ' B' ' 45' ' ' ILE . 30.9 m -72.78 -67.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.175 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -52.66 -51.19 61.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.237 -178.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.476 ' C ' ' H ' ' B' ' 50' ' ' ASN . 80.5 mm-40 -48.92 -63.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.058 -178.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.74 13.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.281 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.476 ' H ' ' C ' ' B' ' 48' ' ' GLN . 2.0 m120 60.36 65.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.772 0.32 . . . . 1.0 111.115 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 41.9 mt -136.21 148.71 48.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.261 -0.427 . . . . 1.0 109.87 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.468 ' C ' ' H ' ' B' ' 54' ' ' SER . 20.1 t -77.02 106.04 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.162 178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -58.53 -2.76 0.23 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.005 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.468 ' H ' ' C ' ' B' ' 52' ' ' SER . 20.5 t -76.88 -43.74 34.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.419 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' B' ' 59' ' ' GLN . 49.2 t30 -82.67 -40.93 20.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.648 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' B' ' 59' ' ' GLN . 63.9 t -45.34 -74.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.806 -179.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 57.6 p -46.01 -41.09 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.686 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -70.93 -20.3 62.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.73 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' B' ' 56' ' ' VAL . 10.9 tt0 -78.97 -42.42 26.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.781 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 25.3 mt -59.3 -39.91 84.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.405 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.29 -56.28 6.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.609 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.473 ' C ' HD23 ' B' ' 62' ' ' LEU . 2.0 tt -49.24 -70.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.213 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.552 HD12 ' N ' ' B' ' 63' ' ' LEU . 10.0 mp -41.76 -51.08 4.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.831 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.422 ' NZ ' ' CB ' ' B' ' 64' ' ' LYS . 2.6 ttmp? -50.11 -39.32 42.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 1.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -72.34 -23.42 61.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.666 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.465 ' O ' HG12 ' B' ' 66' ' ' VAL . 43.5 t -77.23 -5.08 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.584 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 38.9 t60 68.68 11.8 8.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.591 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.471 ' C ' HD23 ' B' ' 68' ' ' LEU . 2.0 tt -82.07 -74.97 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.802 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.408 HG12 ' N ' ' B' ' 70' ' ' LYS . 24.6 t -85.17 155.82 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.625 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.455 ' NZ ' ' H ' ' B' ' 83' ' ' ASP . 23.4 pttm -139.17 -163.54 1.5 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.04 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -164.38 -166.06 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.411 . . . . 1.0 110.815 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -153.21 143.3 22.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.043 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 55.4 ttt85 -88.22 114.77 25.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.98 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -118.64 88.84 3.0 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.74 -130.83 23.19 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.312 -1.115 . . . . 1.0 110.312 -177.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -81.25 -28.59 34.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 1.0 110.547 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 23.2 t -75.73 -174.61 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.933 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.2 ttt -163.78 96.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.882 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.405 HD13 HG21 ' B' ' 79' ' ' ILE . 16.6 mt -82.96 120.88 35.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.126 -177.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -79.05 157.4 28.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.4 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 19.6 t -168.76 178.67 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.985 0.421 . . . . 1.0 111.155 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.9 tp -156.29 102.44 2.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.841 -0.618 . . . . 1.0 109.654 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.455 ' H ' ' NZ ' ' B' ' 70' ' ' LYS . 25.0 t0 -77.18 4.31 10.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.814 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -80.89 87.23 5.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 1.0 110.631 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 25.1 pt -73.59 8.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.53 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -81.95 -48.14 11.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.666 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.409 HG13 ' N ' ' B' ' 88' ' ' ALA . 12.4 p -77.78 -36.56 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.676 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.409 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -47.34 -55.33 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.525 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 3.4 t -63.41 -40.35 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.715 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 10.8 ttt -44.18 -34.37 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.945 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' B' ' 94' ' ' ALA . 16.8 mt -73.83 -57.95 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.258 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -47.82 -27.88 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.278 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -69.78 -33.55 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.529 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' B' ' 91' ' ' LEU . . . -67.2 -44.55 79.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.417 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.709 HD12 ' N ' ' B' ' 95' ' ' ILE . 1.8 mp -75.52 -6.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.087 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -71.14 -64.35 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.887 0.375 . . . . 1.0 110.288 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.523 ' O ' ' N ' ' B' ' 99' ' ' ASN . 23.0 p-80 -87.7 -24.6 23.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.112 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . 47.16 -88.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.707 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' B' ' 97' ' ' HIS . 1.6 t30 -109.8 134.36 52.12 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.248 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -63.02 152.0 84.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 102' ' ' LYS . 39.4 Cg_exo -37.1 137.22 0.29 Allowed 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.088 1.859 . . . . 1.0 112.733 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' B' ' 101' ' ' PRO . 75.9 tttt 55.46 109.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.519 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.045 -0.978 . . . . 1.0 110.558 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.8 t30 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.488 ' C ' ' H ' ' A' ' 12' ' ' THR . 34.7 p -61.74 85.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.644 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 57.65 3.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.752 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.488 ' H ' ' C ' ' A' ' 10' ' ' THR . 46.7 m -81.53 -69.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.502 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 15' ' ' ARG . 2.4 tt -56.93 -45.38 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.502 . . . . 1.0 109.8 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -43.71 -17.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.932 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 13' ' ' LEU . 10.0 tpt180 -64.47 -57.65 8.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.314 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.447 ' H ' HG23 ' A' ' 16' ' ' VAL . 4.8 t -57.69 -18.7 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.532 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 m -79.59 -28.11 41.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.513 . . . . 1.0 109.824 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.78 -33.4 72.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.294 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.4 mt -66.58 -69.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.495 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -50.99 -41.7 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.675 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.92 -28.55 57.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.684 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.44 86.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.732 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.5 mm? -49.75 142.78 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 1.0 109.918 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.57 -126.77 1.58 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.784 -0.926 . . . . 1.0 110.784 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.46 132.54 54.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 1.0 110.722 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -68.98 -12.59 61.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.847 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -68.32 -20.09 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 1.0 110.462 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -64.46 -33.69 76.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.783 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.5 mm -56.4 -52.25 54.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.511 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -47.46 -41.49 20.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.754 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.0 mt -64.39 -61.82 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.428 ' O ' ' OG ' ' A' ' 36' ' ' SER . 62.5 mtt -46.2 -24.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.779 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -73.87 -32.4 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.969 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -90.97 -41.69 10.98 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.062 0.458 . . . . 1.0 110.227 -179.059 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.5 tp -74.94 -57.63 3.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.459 -176.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 32' ' ' MET . 2.9 m -52.11 -14.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.244 0.461 . . . . 1.0 112.244 -175.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.4 m -102.83 -23.44 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 O-C-N 122.4 -0.188 . . . . 1.0 111.221 -178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 m -156.29 145.49 20.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.868 0.366 . . . . 1.0 110.749 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -84.4 143.9 29.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.751 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.82 -178.72 6.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.347 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.459 ' O ' HG22 ' A' ' 45' ' ' ILE . 24.2 p -77.59 176.8 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 43' ' ' GLY . 14.6 p -78.56 -38.48 22.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.873 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.472 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -85.63 -56.98 2.26 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.246 -0.742 . . . . 1.0 111.246 -178.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.42 -41.84 4.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.765 0.316 . . . . 1.0 110.961 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 41' ' ' SER . 17.8 tt -70.75 -30.31 41.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.552 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' GLY . 29.6 p -76.36 -58.28 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.916 -179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.516 ' CD2' ' OE1' ' A' ' 53' ' ' GLN . 34.2 m80 -50.52 -51.73 44.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.791 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -55.06 -45.77 75.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.086 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.4 mt -77.93 4.81 11.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 1.0 111.255 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 60.22 60.55 2.03 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.886 -0.326 . . . . 1.0 111.051 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 mt -133.39 151.91 51.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.972 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 54' ' ' SER . 18.0 m -78.53 107.12 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.594 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.63 ' H ' ' NE2' ' A' ' 53' ' ' GLN . 1.8 pm0 -57.24 -3.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.795 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.482 ' H ' ' C ' ' A' ' 52' ' ' SER . 7.0 m -77.8 -44.64 26.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.498 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' CB ' HE21 ' A' ' 59' ' ' GLN . 15.4 m-20 -79.07 -37.07 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.584 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' GLN . 94.1 t -44.31 -66.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 t -43.34 -36.97 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.925 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -77.7 -30.94 52.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.74 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' VAL . 54.8 mt-30 -67.65 -54.22 21.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.768 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 14.0 mt -50.3 -45.75 54.85 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.619 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -37.79 -51.58 1.27 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.508 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.9 tp -58.39 -55.27 37.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.743 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.8 mp -53.48 -52.82 58.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.518 -176.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -32.69 71.73 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.817 -177.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -81.06 8.79 7.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.461 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 66' ' ' VAL . 61.6 t -126.06 -3.98 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.065 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 71.09 16.65 6.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.884 0.373 . . . . 1.0 110.383 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 tp -80.89 -14.95 57.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.2 t -149.44 133.16 8.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.632 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -96.96 107.28 19.77 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.197 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.56 160.21 17.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.513 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -150.3 150.05 30.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.176 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 123.62 18.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.023 0.44 . . . . 1.0 110.277 -179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -160.26 81.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.051 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.86 -175.36 20.62 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 109.774 -1.33 . . . . 1.0 109.774 -178.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -56.13 -65.79 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.619 -0.432 . . . . 1.0 109.893 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.446 ' C ' ' SD ' ' A' ' 78' ' ' MET . 51.6 p -70.9 -169.45 0.35 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.462 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 77' ' ' SER . 2.1 mpt? -140.51 157.26 45.76 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.345 -0.389 . . . . 1.0 109.992 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 79' ' ' ILE . 8.6 mt -146.47 107.4 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.624 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.499 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 6.6 p90 -108.84 152.29 25.09 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.017 178.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 m -167.18 174.05 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 1.0 110.715 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.603 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.9 mp -83.17 -172.42 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 1.0 109.915 179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -159.65 -50.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.57 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.9 102.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.9 pt -73.09 4.23 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.584 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -81.03 -47.24 13.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.711 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 88' ' ' ALA . 12.3 p -79.09 -39.44 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.007 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.461 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -53.1 -50.69 63.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.764 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.4 m -67.36 -40.31 85.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.843 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' A' ' 90' ' ' MET . 12.8 tmm? -45.87 -31.84 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.588 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -76.6 -62.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.106 179.439 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' O ' ' CG ' ' A' ' 96' ' ' HIS . 68.2 mttm -50.12 -36.88 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.464 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.99 -22.86 67.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.385 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -76.02 -47.52 24.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.502 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 95' ' ' ILE . 63.9 mt -74.16 -6.35 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.178 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 92' ' ' LYS . 1.9 m-70 -81.77 -46.88 13.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -43.94 -52.82 6.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.868 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 99' ' ' ASN . . . 58.39 38.52 25.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.674 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 98' ' ' ALA . 2.5 m120 51.11 174.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.618 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -79.21 150.63 74.55 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.223 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -37.81 142.89 0.2 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 121.994 1.796 . . . . 1.0 112.643 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -62.64 110.22 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.6 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.013 -0.994 . . . . 1.0 110.611 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.401 ' C ' ' H ' ' B' ' 11' ' ' ASP . 23.1 m120 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.294 -0.632 . . . . 1.0 109.294 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -64.21 -1.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.708 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' B' ' 9' ' ' ASN . 3.6 m-20 -80.33 -74.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.654 -179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' B' ' 15' ' ' ARG . 20.5 p -67.43 -40.75 85.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.857 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' B' ' 15' ' ' ARG . 22.6 tp -51.22 -55.06 20.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 1.0 110.799 -178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -41.09 -24.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.702 0.287 . . . . 1.0 111.524 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' B' ' 13' ' ' LEU . 18.9 mmm180 -57.94 -61.31 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.025 -0.27 . . . . 1.0 111.469 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.523 ' O ' ' CD2' ' B' ' 20' ' ' PHE . 3.9 m -61.85 -19.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.981 -177.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 16.1 p -77.08 -18.66 57.87 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.006 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -80.27 -44.08 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.075 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 13.2 pt -61.52 -41.55 90.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.321 -176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' B' ' 16' ' ' VAL . 30.0 m-85 -74.97 -45.16 44.12 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.41 -0.516 . . . . 1.0 110.526 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -64.07 -16.48 61.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.343 . . . . 1.0 110.539 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 -47.37 82.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.472 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 41.6 mt -52.8 166.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.502 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.478 ' N ' ' NH1' ' B' ' 28' ' ' ARG . . . -160.69 -26.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -153.89 128.98 9.63 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.932 -0.395 . . . . 1.0 109.932 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' B' ' 27' ' ' ASN . 44.8 p90 -59.93 -43.59 94.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.988 -178.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.621 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 34.1 p30 -46.02 -16.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.125 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.478 ' NH1' ' N ' ' B' ' 24' ' ' GLY . 99.4 mtt180 -65.45 -16.39 63.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.967 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.581 HG23 ' N ' ' B' ' 30' ' ' ARG . 21.3 tt -73.85 -48.7 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.867 -0.333 . . . . 1.0 110.481 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.581 ' N ' HG23 ' B' ' 29' ' ' ILE . 79.5 mtt85 -44.19 -54.92 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.953 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.9 pt -66.27 -31.6 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.726 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 18.1 ttt -62.91 -45.77 90.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.839 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -55.11 -50.74 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.647 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.36 -38.86 92.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.698 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' B' ' 37' ' ' VAL . 0.2 OUTLIER -66.31 -50.15 64.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 1.0 109.972 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.7 t -44.6 -15.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.197 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' B' ' 35' ' ' LEU . 7.5 p -162.71 75.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.548 0.69 . . . . 1.0 111.142 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 91.5 p -173.65 -165.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.478 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -171.52 114.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.013 179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -161.98 -177.67 5.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.786 -178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.6 t -74.49 -176.27 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.229 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 26.2 m -86.61 -29.37 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.63 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' B' ' 46' ' ' SER . . . -91.54 -53.18 2.17 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.272 -0.731 . . . . 1.0 111.272 -179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.569 ' ND1' ' N ' ' B' ' 44' ' ' HIS . 1.1 m-70 -42.98 -32.79 0.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 1.0 111.339 -178.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.6 pt -77.71 -26.84 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.46 -0.337 . . . . 1.0 110.951 -178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.49 ' N ' ' O ' ' B' ' 43' ' ' GLY . 15.2 m -74.95 -51.38 13.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.102 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -64.28 -52.58 57.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.937 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -54.8 -46.45 74.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.135 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -76.83 8.95 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.621 -0.263 . . . . 1.0 110.82 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 61.37 56.78 2.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.294 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 97.3 mt -136.05 158.2 44.99 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.938 0.399 . . . . 1.0 110.489 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.49 ' C ' ' H ' ' B' ' 54' ' ' SER . 58.6 m -80.55 109.54 15.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.438 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.607 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 5.6 pm0 -57.77 -1.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 1.0 111.183 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.49 ' H ' ' C ' ' B' ' 52' ' ' SER . 4.4 m -78.13 -44.77 25.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.707 0.289 . . . . 1.0 110.73 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -81.84 -37.95 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.941 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' B' ' 59' ' ' GLN . 96.4 t -43.64 -65.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.055 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.6 m -41.66 -35.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.494 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -76.87 -24.5 52.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.59 -0.277 . . . . 1.0 111.066 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' B' ' 56' ' ' VAL . 20.6 mt-30 -66.72 -50.54 62.47 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.81 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.96 -42.64 90.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 1.0 110.731 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -44.78 -55.4 5.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.657 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 59.2 tp -48.76 -74.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.112 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.571 HD12 ' N ' ' B' ' 63' ' ' LEU . 9.8 mp -42.0 -56.84 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.015 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -42.28 -32.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.226 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 29.1 m -83.24 -31.69 26.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.215 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.466 ' C ' ' CG ' ' B' ' 67' ' ' HIS . 13.1 t -77.36 -6.27 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.084 -177.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.466 ' CG ' ' C ' ' B' ' 66' ' ' VAL . 11.2 m-70 75.24 21.29 1.9 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.693 -0.23 . . . . 1.0 111.523 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 29.5 mt -89.87 -5.14 57.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.758 -0.201 . . . . 1.0 110.839 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 30.7 m -149.6 139.1 15.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.89 0.376 . . . . 1.0 110.755 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -114.65 117.55 31.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.893 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -89.45 121.8 32.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.087 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.422 ' N ' ' CD ' ' B' ' 72' ' ' LYS . 1.9 mptp? -89.95 138.08 31.8 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 177.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -137.79 104.58 5.33 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.98 0.419 . . . . 1.0 110.796 -177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.405 ' N ' ' CD ' ' B' ' 74' ' ' GLN . 4.2 mp0 -90.3 124.79 35.18 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.212 -0.662 . . . . 1.0 109.212 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 46.54 -103.57 0.06 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.209 -1.156 . . . . 1.0 110.209 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -124.12 88.52 2.92 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 110.053 -0.351 . . . . 1.0 110.053 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 44.2 m -171.31 107.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.539 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 69.0 mtp -86.65 121.59 29.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.845 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 9.8 mt -146.01 117.98 2.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.25 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -79.55 139.46 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 1.0 111.035 -177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 7.9 t -154.21 131.76 11.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' B' ' 84' ' ' ASP . 40.8 tp -96.07 112.59 24.28 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.806 178.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -44.57 -29.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.87 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' B' ' 88' ' ' ALA . 33.7 t0 35.79 92.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.659 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.574 HG23 ' N ' ' B' ' 86' ' ' HIS . 6.4 tp -111.47 -48.98 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 110.061 -0.348 . . . . 1.0 110.061 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.574 ' N ' HG23 ' B' ' 85' ' ' ILE . 34.4 m80 -107.12 -42.81 4.78 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.479 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 91.3 t -45.29 -42.94 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.698 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' B' ' 84' ' ' ASP . . . -42.44 -64.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.345 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.416 ' O ' ' N ' ' B' ' 92' ' ' LYS . 70.2 p -74.23 -52.27 12.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.921 -178.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 39.0 ttm -41.72 -38.05 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.345 -0.388 . . . . 1.0 111.436 -178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 32.4 tp -76.89 -36.61 56.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 1.0 110.234 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' B' ' 89' ' ' THR . 33.7 ttmt -63.21 -61.26 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.449 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -46.86 -37.14 8.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.584 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.76 -49.14 74.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.615 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.459 ' O ' HG22 ' B' ' 95' ' ' ILE . 93.8 mt -74.76 -7.98 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.71 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -83.12 -24.29 32.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 1.0 110.469 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.463 ' C ' ' H ' ' B' ' 99' ' ' ASN . 57.3 t-80 -60.28 -11.21 5.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.697 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.407 ' O ' ' CD2' ' B' ' 100' ' ' HIS . . . -72.06 41.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.479 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.463 ' H ' ' C ' ' B' ' 97' ' ' HIS . 74.2 m-20 -64.27 138.55 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.66 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' B' ' 98' ' ' ALA . 0.6 OUTLIER -177.31 59.58 0.16 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.681 -179.73 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.6 -179.48 4.89 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.702 2.268 . . . . 1.0 111.887 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -52.83 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.495 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.596 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.441 -0.578 . . . . 1.0 109.441 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.518 ' OG1' ' N ' ' A' ' 11' ' ' ASP . 3.3 t -166.62 -166.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.503 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.545 ' CG ' HH12 ' A' ' 15' ' ' ARG . 29.7 t70 -157.65 -37.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.248 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.3 m -60.38 -51.42 69.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.423 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -55.46 -42.81 74.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.536 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -48.34 -27.4 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.842 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.545 HH12 ' CG ' ' A' ' 11' ' ' ASP . 59.3 mmt-85 -66.53 -61.01 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.241 -178.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 p -70.51 -22.23 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 1.0 110.71 -178.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 m -73.12 -38.7 66.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.705 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.25 -41.9 94.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.609 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.4 mm -47.43 -65.92 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -50.04 -41.47 47.73 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.524 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -59.67 -52.42 65.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.769 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.33 -43.92 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.652 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.495 HD23 ' N ' ' A' ' 24' ' ' GLY . 3.1 tt -37.32 115.56 0.41 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.307 -178.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.495 ' N ' HD23 ' A' ' 23' ' ' LEU . . . -85.73 -148.82 11.47 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 27' ' ' ASN . 6.1 m-20 -66.35 144.47 56.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 1.0 110.51 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' C ' ' H ' ' A' ' 28' ' ' ARG . 14.0 m-85 -41.45 -22.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.285 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 25' ' ' ASP . 87.3 m-20 -59.61 -3.0 0.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.525 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 26' ' ' TYR . 63.2 ttt-85 -67.13 -35.14 79.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.644 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.9 mm -67.91 -58.01 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.687 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -37.23 -60.6 0.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.616 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.15 -52.22 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.834 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 7.9 tpt -44.69 -33.48 1.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.531 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -64.83 -76.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.497 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.6 tp -55.49 -32.5 62.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.528 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' C ' ' N ' ' A' ' 37' ' ' VAL . 36.2 tp -63.89 -30.13 71.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.656 -0.418 . . . . 1.0 110.144 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.4 p -47.87 -16.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.288 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 37' ' ' VAL . 4.5 p -178.04 105.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.758 -0.655 . . . . 1.0 109.942 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' GLU . 99.6 p -163.36 -48.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.922 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' SER . 70.2 mm-40 51.02 97.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.155 -0.313 . . . . 1.0 110.155 -178.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.423 ' O ' HG22 ' A' ' 79' ' ' ILE . . . -159.37 -177.62 6.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.782 -178.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -69.27 166.73 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.596 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 t -77.15 -37.39 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.916 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.92 -62.08 1.87 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.373 -0.691 . . . . 1.0 111.373 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.579 ' ND1' ' N ' ' A' ' 44' ' ' HIS . 1.3 m-70 -42.45 -56.2 3.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.718 0.294 . . . . 1.0 111.288 -178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.0 tt -43.6 -27.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.135 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 m -80.05 -44.43 20.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.106 -178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -54.39 -56.85 14.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.455 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -66.1 -31.55 72.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.816 0.341 . . . . 1.0 110.695 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.3 tp -75.02 -13.51 60.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.286 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 65.39 80.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.483 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.68 156.66 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.197 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 54' ' ' SER . 39.6 m -79.14 111.89 15.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.621 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.03 -1.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.592 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 52' ' ' SER . 47.7 t -72.45 -41.89 65.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.463 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' GLN . 7.9 m-80 -81.91 -33.15 30.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.721 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 59' ' ' GLN . 93.0 t -46.11 -74.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.703 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.4 t -41.26 -40.77 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.33 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -76.2 -27.78 57.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.548 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 56' ' ' VAL . 57.0 tt0 -65.3 -60.29 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.917 -179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -58.07 -36.89 73.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.697 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -44.91 -56.06 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.828 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 62' ' ' LEU . 2.3 tt -56.04 -64.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.508 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.7 mp -46.17 -55.45 7.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.563 -178.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.29 -26.68 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.607 -0.269 . . . . 1.0 111.176 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 p -67.94 -31.7 71.63 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.837 -0.345 . . . . 1.0 111.024 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 m -108.97 29.46 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.888 -178.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 55.72 19.41 3.38 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.741 0.645 . . . . 1.0 112.741 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.6 mt -74.26 -17.39 60.87 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.241 -0.584 . . . . 1.0 110.004 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 69' ' ' VAL . 33.6 m -151.17 129.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.203 179.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -100.45 135.14 42.35 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.646 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.86 157.41 18.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.306 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -154.24 143.6 21.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.958 0.408 . . . . 1.0 110.622 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.54 125.16 19.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.712 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -146.47 80.15 1.55 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.936 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.18 -29.16 1.92 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.33 -0.708 . . . . 1.0 111.33 177.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -82.41 -98.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.755 0.312 . . . . 1.0 110.49 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.0 t -158.99 -174.85 4.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.4 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 16.1 ttt -75.73 75.75 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.474 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 40' ' ' ALA . 14.8 pt -97.86 135.39 32.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.406 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -79.11 162.43 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.842 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 t -154.5 127.98 8.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.631 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.557 HD23 ' N ' ' A' ' 83' ' ' ASP . 2.6 tt -80.47 114.21 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.293 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.557 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -69.41 -58.51 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.567 179.713 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -66.18 78.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.613 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.9 tt -65.54 -26.12 38.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.751 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -51.94 -20.36 2.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.811 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.87 -37.38 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.762 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.45 -53.94 38.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 1.0 111.271 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.428 HG22 ' H ' ' A' ' 89' ' ' THR . 0.0 OUTLIER -70.75 -43.73 68.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.964 -178.016 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.8 tpp -55.56 -25.68 39.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.735 0.303 . . . . 1.0 110.89 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.43 ' O ' HD23 ' A' ' 91' ' ' LEU . 3.2 tt -73.71 -55.64 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 1.0 110.278 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -42.19 -48.89 4.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.992 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -56.64 -37.26 70.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.497 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 91' ' ' LEU . . . -60.59 -52.29 65.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.649 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mm -60.0 -10.54 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.891 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -102.1 -7.05 22.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.775 0.321 . . . . 1.0 110.33 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' A' ' 98' ' ' ALA . 51.9 t-80 -77.42 -63.49 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.827 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 97' ' ' HIS . . . -52.91 -106.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.618 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 99' ' ' ASN . 6.8 p-10 41.91 73.68 0.13 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.197 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 53.22 71.44 1.42 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.742 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -47.16 107.8 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.713 2.275 . . . . 1.0 112.316 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -79.5 -179.87 7.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.636 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.957 -1.02 . . . . 1.0 110.609 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 70.8 p -76.51 111.21 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -80.46 -28.45 37.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.74 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.1 p -60.79 -48.83 80.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.554 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' B' ' 16' ' ' VAL . 11.4 tp -67.94 -36.02 79.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.09 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -45.39 -44.85 12.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.748 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -53.88 -31.54 50.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.207 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' B' ' 13' ' ' LEU . 8.7 t -77.92 -24.78 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.434 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.4 m -74.67 -19.3 60.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.556 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -85.74 -58.12 2.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.335 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.547 HG23 ' N ' ' B' ' 20' ' ' PHE . 15.1 tt -43.66 -45.75 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.578 -0.283 . . . . 1.0 111.269 -177.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.547 ' N ' HG23 ' B' ' 19' ' ' ILE . 38.8 m-85 -70.43 -40.46 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.358 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -58.49 -28.91 65.82 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.499 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.73 -43.41 47.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.361 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 mt -52.6 146.62 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.406 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.84 -120.65 0.96 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -49.35 111.36 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 1.0 110.549 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -50.27 -33.39 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.888 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -61.13 -5.42 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.928 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.61 -27.12 68.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.032 -178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.568 HG23 ' N ' ' B' ' 30' ' ' ARG . 17.8 tt -65.19 -47.86 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.784 -178.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.568 ' N ' HG23 ' B' ' 29' ' ' ILE . 13.7 mtp-105 -50.1 -36.78 30.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.738 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.6 mt -77.19 -60.73 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.714 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.7 mmt -45.81 -38.91 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.882 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -63.35 -41.41 98.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.757 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.07 -35.45 75.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.353 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 37' ' ' VAL . 16.3 mt -67.96 -26.1 65.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.904 -178.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -45.01 -22.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 1.0 110.744 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.438 HG13 ' O ' ' B' ' 37' ' ' VAL . 6.4 p -171.29 74.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 1.0 110.307 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.7 p -173.27 -170.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.535 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -178.31 128.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.256 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.36 -179.77 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 1.0 110.827 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 36.8 p -69.9 174.71 4.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.86 -17.95 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.61 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -99.97 -68.07 0.86 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.433 ' O ' ' N ' ' B' ' 46' ' ' SER . 69.0 m-70 -44.19 -48.1 9.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 1.0 111.046 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 tt -44.19 -21.1 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.846 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.433 ' N ' ' O ' ' B' ' 44' ' ' HIS . 55.4 p -93.86 -41.26 9.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.932 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -60.62 -51.87 67.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.033 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -54.45 -44.97 72.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.119 -178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 25.8 mt -77.61 14.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.973 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 59.92 12.72 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 1.0 110.698 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.579 HD23 ' N ' ' B' ' 52' ' ' SER . 1.3 tt -83.58 139.55 32.79 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.579 ' N ' HD23 ' B' ' 51' ' ' LEU . 57.7 p -76.05 127.19 32.43 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.875 -0.33 . . . . 1.0 110.426 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 1.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.654 -177.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.504 ' H ' ' C ' ' B' ' 52' ' ' SER . 48.5 m -71.93 -31.92 66.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.728 0.299 . . . . 1.0 110.845 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.533 HD22 HD21 ' B' ' 51' ' ' LEU . 59.1 m-20 -87.53 -45.27 10.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.24 -178.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.5 p -55.43 -2.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.803 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.465 ' H ' ' C ' ' B' ' 55' ' ' ASN . 21.6 t -84.65 -64.95 1.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.055 0.455 . . . . 1.0 110.158 177.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.26 -5.56 52.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.978 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -59.87 -76.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 1.0 110.675 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' B' ' 80' ' ' TYR . 12.5 mt -62.42 -30.51 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.862 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -49.74 -66.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 1.0 110.768 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.3 tp -53.99 -62.18 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.719 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.485 HD12 ' N ' ' B' ' 63' ' ' LEU . 8.2 mp -46.82 -59.05 3.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.231 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -53.48 -16.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.903 -0.319 . . . . 1.0 110.997 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -84.77 -5.99 59.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.268 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 4.3 m -133.42 27.73 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.479 0.18 . . . . 1.0 110.965 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 40.3 m80 57.11 22.12 7.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.887 0.699 . . . . 1.0 112.887 174.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -76.48 -15.23 59.95 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.424 -0.51 . . . . 1.0 110.215 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 29.1 m -154.88 149.72 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.457 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.481 ' CG ' ' N ' ' B' ' 71' ' ' ALA . 32.4 ttpt -106.99 164.79 11.85 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.006 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.481 ' N ' ' CG ' ' B' ' 70' ' ' LYS . . . -153.78 118.29 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 1.0 110.542 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -80.63 137.83 36.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.021 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 52.6 ttt85 -139.4 87.22 2.17 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.212 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' B' ' 76' ' ' GLN . 9.1 tp-100 -79.84 131.16 35.82 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.782 -0.822 . . . . 1.0 108.782 174.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 48.31 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.169 -1.172 . . . . 1.0 110.169 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' B' ' 74' ' ' GLN . 2.5 pt20 -139.33 92.31 2.57 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.881 0.372 . . . . 1.0 110.199 179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.5 m -165.17 113.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.37 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 33.1 mtp -82.98 90.71 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.994 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 mm -108.85 90.16 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.207 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.468 ' CD2' HD13 ' B' ' 60' ' ' LEU . 65.8 m-85 -71.13 137.82 49.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 1.0 110.659 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.431 ' O ' ' O ' ' B' ' 70' ' ' LYS . 7.6 t -159.47 147.96 17.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.745 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.08 -146.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.51 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -172.4 -56.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.483 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 84' ' ' ASP . 38.7 p-10 -70.75 97.7 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.324 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.466 ' C ' ' N ' ' B' ' 87' ' ' VAL . 14.5 tt -68.64 -41.04 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.284 -177.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.462 ' N ' HG23 ' B' ' 85' ' ' ILE . 28.2 p80 -46.82 -15.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 1.0 110.653 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.466 ' N ' ' C ' ' B' ' 85' ' ' ILE . 91.3 t -85.6 -35.85 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.631 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' B' ' 85' ' ' ILE . . . -64.39 -43.3 94.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.845 -178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.503 HG23 ' N ' ' B' ' 90' ' ' MET . 9.4 t -70.33 -42.12 72.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.57 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . 0.503 ' N ' HG23 ' B' ' 89' ' ' THR . 13.9 tpt -55.32 -27.19 45.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.607 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -68.54 -61.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.238 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -53.33 -37.05 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.548 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.533 ' NE2' ' NE2' ' B' ' 97' ' ' HIS . 9.2 tm0? -55.12 -32.88 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.259 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.37 -43.03 61.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.503 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.2 mm -72.18 -4.88 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.568 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.427 ' O ' ' O ' ' B' ' 99' ' ' ASN . 52.4 t-80 -82.58 -57.91 3.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.588 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.533 ' NE2' ' NE2' ' B' ' 93' ' ' GLN . 14.1 m170 -48.39 -53.58 17.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.531 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.59 -93.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.525 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' B' ' 96' ' ' HIS . 47.8 t30 -57.82 141.11 50.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.457 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 49.86 66.46 5.57 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.427 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -43.17 -68.07 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.802 2.334 . . . . 1.0 112.505 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 82.3 tttt 51.83 86.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.522 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.972 -1.013 . . . . 1.0 110.649 -179.894 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . 11.8 t-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 9' ' ' ASN . 4.9 m -167.69 47.93 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.333 179.322 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 11' ' ' ASP . 36.2 t0 -68.47 -16.02 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.505 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.3 m -60.19 -47.22 86.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.596 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.32 -37.95 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.279 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -51.26 -44.4 61.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.478 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -61.17 -40.14 92.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.614 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.87 -22.21 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.607 -179.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.3 m -78.83 -25.07 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.311 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -72.81 -27.9 62.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.814 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.64 -47.99 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.004 -179.174 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -79.56 -39.96 30.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.15 -178.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -59.95 -22.37 62.39 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.369 179.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.26 99.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.395 179.148 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.5 mm? -52.14 146.64 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.843 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.27 -157.32 7.7 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.769 -0.933 . . . . 1.0 110.769 -179.651 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -46.08 157.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 1.0 110.776 -179.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -62.96 -10.87 15.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.729 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' OD1' ' NE2' ' A' ' 59' ' ' GLN . 46.0 t-20 -56.63 -38.37 72.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.549 179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.1 mmt-85 -65.68 -58.59 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.63 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.8 mm -49.95 -52.24 14.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.488 179.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -43.49 -67.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.991 -179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.8 mt -57.51 -51.91 63.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.686 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' A' ' 32' ' ' MET . 13.0 tmm? -45.2 -32.23 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.782 -179.491 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -74.36 -44.98 49.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.854 -179.3 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -57.6 -35.83 70.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.077 0.465 . . . . 1.0 110.171 -179.296 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -66.33 -61.43 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.232 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -38.99 -23.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.56 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 35' ' ' LEU . 94.9 t -82.39 -38.35 15.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.834 -179.626 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' LEU . 14.0 t -177.11 160.05 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.624 -179.565 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 39' ' ' GLU . 20.1 mp0 -82.0 155.01 25.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.505 179.648 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.01 173.05 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.466 ' O ' HG22 ' A' ' 45' ' ' ILE . 2.2 m -72.24 169.44 16.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.443 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.519 HG23 ' N ' ' A' ' 43' ' ' GLY . 18.2 m -73.06 -42.95 59.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.194 -178.214 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.519 ' N ' HG23 ' A' ' 42' ' ' VAL . . . -80.68 -59.55 2.47 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.418 -0.673 . . . . 1.0 111.418 -178.367 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -42.06 -58.83 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 1.0 111.14 -178.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 41' ' ' SER . 13.4 tt -50.07 -32.53 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.802 -179.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 m -80.59 -45.89 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.542 -177.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -64.88 -54.36 32.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.45 -177.181 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -59.42 -40.22 86.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.688 -178.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.2 tp -74.13 -4.33 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.129 -179.214 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 m120 67.77 80.61 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.245 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.8 tp -159.62 151.56 20.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.191 -178.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.9 t -75.6 111.37 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.425 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -64.56 -3.72 3.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.763 -179.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.8 p -83.99 -25.31 30.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.52 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -89.93 -43.77 10.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.178 -178.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.598 HG23 ' N ' ' A' ' 57' ' ' SER . 32.9 m -44.53 -52.0 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 121.073 -0.251 . . . . 1.0 111.05 -177.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.598 ' N ' HG23 ' A' ' 56' ' ' VAL . 48.0 p -41.99 -38.6 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 1.0 111.076 -179.108 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -78.15 -29.74 48.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.55 179.184 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 56' ' ' VAL . 32.7 mt-30 -65.76 -56.08 13.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.927 -179.096 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.7 mt -53.13 -43.37 66.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 1.0 110.639 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -42.56 -57.75 2.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.874 -179.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 tp -50.34 -68.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.408 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 63' ' ' LEU . 4.0 mm? -43.54 -55.39 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.742 -179.11 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -46.84 -69.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.892 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.514 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 8.2 t -47.72 -50.22 25.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.538 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.452 ' O ' HG12 ' A' ' 66' ' ' VAL . 89.4 t -52.75 -9.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.928 -177.603 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.514 ' CE1' ' O ' ' A' ' 65' ' ' SER . 14.1 m-70 76.06 17.16 2.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.481 -0.327 . . . . 1.0 111.644 177.532 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.55 -82.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 178.036 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.6 m -68.29 145.4 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.975 -178.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -101.72 106.5 17.53 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.154 178.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.75 133.7 34.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.716 -179.14 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -114.86 140.02 49.3 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.191 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -139.72 112.74 8.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.335 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -160.06 81.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.69 -65.26 0.38 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.357 -1.097 . . . . 1.0 110.357 -179.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -164.07 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.034 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.9 m -68.95 -167.43 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.124 177.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.424 ' SD ' ' OH ' ' A' ' 80' ' ' TYR . 0.5 OUTLIER -142.37 105.48 4.59 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.686 -0.487 . . . . 1.0 109.686 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 mt -84.22 109.65 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.915 -177.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.424 ' OH ' ' SD ' ' A' ' 78' ' ' MET . 50.7 m-85 -75.92 142.96 41.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.495 179.279 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 m -153.67 140.68 19.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.642 -179.216 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 82' ' ' LEU . 2.9 mm? -76.92 -178.25 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.14 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -160.62 -32.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.501 179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -79.75 91.26 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.523 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.63 -37.27 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.721 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -51.48 -64.36 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.623 -179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.8 t -46.07 -48.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.885 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.61 -51.23 38.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 1.0 110.807 -179.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.7 m -68.05 -42.72 80.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.363 -178.041 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.3 mmt -41.41 -40.57 1.78 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.566 -0.288 . . . . 1.0 111.531 -177.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 91' ' ' LEU . 10.5 mp -78.74 -38.63 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 1.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -52.67 -71.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.098 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -59.08 -30.21 67.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.353 -177.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.05 -47.19 53.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.957 -0.297 . . . . 1.0 111.11 -178.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 95' ' ' ILE . 95.5 mt -74.42 -11.7 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.894 -178.615 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.488 ' C ' ' H ' ' A' ' 98' ' ' ALA . 2.3 m-70 -82.77 -36.78 25.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.757 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -58.04 -2.82 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.839 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 96' ' ' HIS . . . -76.07 -13.02 60.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.595 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.559 ' N ' HD22 ' A' ' 99' ' ' ASN . 1.4 m120 -52.16 121.99 7.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.743 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -59.71 149.93 69.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 1.0 109.937 179.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 102' ' ' LYS . 97.1 Cg_endo -75.3 -24.86 11.96 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 121.781 1.654 . . . . 1.0 111.988 179.583 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 101' ' ' PRO . 82.4 tttt 60.02 128.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.76 179.746 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.018 -0.991 . . . . 1.0 110.602 179.894 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.465 -0.569 . . . . 1.0 109.465 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 24.9 m -162.62 -39.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.63 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.73 -45.33 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.438 179.701 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 39.5 p -73.04 -50.92 20.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.713 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tp -44.83 -52.03 8.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 1.0 110.614 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -47.39 -42.74 22.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.792 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -64.67 -32.92 74.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.838 -179.075 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 19.9 t -61.07 -22.99 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 1.0 110.474 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.1 p -79.84 -30.91 40.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.211 178.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.2 -30.73 70.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.387 179.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 59.8 mt -71.57 -49.61 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.65 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -72.07 -39.39 69.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.724 -178.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -66.7 -7.5 21.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.515 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -70.61 -49.43 47.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.493 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.561 HD12 ' N ' ' B' ' 23' ' ' LEU . 9.5 mp -56.89 161.04 3.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.093 179.406 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.79 -155.62 7.45 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.087 -0.805 . . . . 1.0 111.087 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -50.13 165.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 1.0 110.859 -179.015 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -50.82 -46.58 59.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.666 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.4 -29.38 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.671 -179.448 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.515 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 5.1 tpp85 -61.02 -56.33 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.774 -179.165 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 16.8 tt -77.83 -35.72 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.822 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -41.66 -42.92 2.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.242 -179.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.9 mm -58.68 -50.49 78.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.557 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.495 ' SD ' ' OG ' ' B' ' 36' ' ' SER . 12.0 tmm? -49.2 -41.35 36.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.923 -179.047 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -57.04 -43.22 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.824 -179.177 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.683 HD13 ' C ' ' B' ' 34' ' ' LEU . 2.7 tm? -73.95 -41.14 62.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.227 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.502 ' O ' HD23 ' B' ' 35' ' ' LEU . 0.9 OUTLIER -61.22 -45.66 93.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.194 0.521 . . . . 1.0 109.82 178.203 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.495 ' OG ' ' SD ' ' B' ' 32' ' ' MET . 74.9 m -46.08 -23.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.556 178.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' B' ' 38' ' ' SER . 41.8 t -108.66 88.58 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.466 179.472 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.428 ' O ' ' O ' ' B' ' 37' ' ' VAL . 20.9 t 57.31 154.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.125 178.572 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 39' ' ' GLU . 5.3 mp0 -93.35 170.58 9.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.616 179.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -162.75 -177.37 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.331 179.329 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.5 t -60.0 161.6 6.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 1.0 109.87 177.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 t -77.66 -31.23 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.801 -0.359 . . . . 1.0 110.955 -178.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.66 -53.24 3.1 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.434 -0.667 . . . . 1.0 111.434 -178.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -40.19 -53.72 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.734 0.302 . . . . 1.0 111.478 -178.039 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 67.2 mt -51.52 -29.55 9.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.902 -178.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -69.98 -71.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.922 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.472 ' NE2' ' CD ' ' B' ' 53' ' ' GLN . 53.0 m80 -52.49 -49.98 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.137 -178.343 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -47.75 -58.24 4.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.091 -178.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.553 ' N ' HD12 ' B' ' 49' ' ' LEU . 10.3 mp -79.61 13.15 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.236 -177.318 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 60.92 67.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.988 -0.285 . . . . 1.0 111.415 177.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.468 ' O ' ' NE2' ' B' ' 53' ' ' GLN . 27.8 mt -134.52 149.08 50.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.011 177.625 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.5 t -79.53 120.83 24.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.554 179.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.572 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 20.9 mp0 -63.5 -2.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.05 -178.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 27.8 t -83.93 -20.44 32.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.956 -179.066 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -104.47 -31.66 9.37 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.407 -177.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.643 HG13 ' N ' ' B' ' 57' ' ' SER . 14.6 p -48.13 -56.25 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.694 -0.402 . . . . 1.0 110.971 -176.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.643 ' N ' HG13 ' B' ' 56' ' ' VAL . 75.8 p -39.68 -57.7 1.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.718 0.294 . . . . 1.0 111.536 -178.05 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -58.94 -27.88 65.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.823 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' B' ' 56' ' ' VAL . 0.4 OUTLIER -62.71 -67.28 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.741 -178.254 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.25 -41.91 80.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 1.0 111.037 -178.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -42.95 -55.77 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.103 -178.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.473 ' C ' HD23 ' B' ' 62' ' ' LEU . 3.2 tt -54.01 -64.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.409 -179.555 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.537 HD12 ' N ' ' B' ' 63' ' ' LEU . 9.8 mp -47.04 -57.42 5.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.767 -179.152 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -55.28 -27.36 46.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.323 -177.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.43 ' C ' ' H ' ' B' ' 67' ' ' HIS . 27.1 p -76.66 -46.88 24.02 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.821 0.304 . . . . 1.0 111.821 -176.773 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 6.6 m -69.7 13.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.788 -0.365 . . . . 1.0 111.839 -175.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.43 ' H ' ' C ' ' B' ' 65' ' ' SER . 7.9 t-80 68.05 16.61 9.51 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.932 0.345 . . . . 1.0 111.932 176.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.481 ' C ' HD23 ' B' ' 68' ' ' LEU . 2.3 tt -83.33 -73.95 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.715 -0.476 . . . . 1.0 109.715 177.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.09 138.8 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 1.0 111.305 -178.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -109.35 162.92 13.88 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.939 -0.573 . . . . 1.0 109.734 178.101 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -158.38 137.05 11.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.926 0.393 . . . . 1.0 111.116 -179.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -85.74 135.47 33.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.256 178.389 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -81.11 140.34 35.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.255 -178.638 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.508 ' C ' ' H ' ' B' ' 76' ' ' GLN . 82.4 mm-40 -136.68 158.79 43.63 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.076 179.377 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.69 24.54 0.29 Allowed Glycine 0 CA--C 1.527 0.783 0 C-N-CA 121.356 -0.449 . . . . 1.0 112.04 -177.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' B' ' 74' ' ' GLN . 1.0 OUTLIER -170.47 -78.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.048 0.424 . . . . 1.0 110.999 179.264 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.7 t -85.9 -167.27 1.79 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.989 0.423 . . . . 1.0 110.827 -178.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 51.5 mtt -150.09 107.94 3.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.818 179.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.675 HD12 ' N ' ' B' ' 79' ' ' ILE . 1.5 mp -82.6 97.29 4.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.478 -177.109 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -70.77 139.14 50.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.375 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 9.8 t -152.69 145.89 24.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.82 -178.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.541 ' H ' HD23 ' B' ' 82' ' ' LEU . 0.2 OUTLIER -90.38 118.95 30.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.936 179.62 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -78.87 -57.3 3.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.589 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.23 93.86 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.586 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' B' ' 88' ' ' ALA . 16.2 tt -65.8 -15.43 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.596 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -58.38 -53.78 54.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.809 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.4 t -54.1 -37.3 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.661 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 85' ' ' ILE . . . -53.25 -47.84 68.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.669 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 52.1 p -66.49 -42.23 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.846 -179.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.6 tpt -39.92 -41.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 1.0 111.507 -178.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.563 HD22 ' N ' ' B' ' 91' ' ' LEU . 3.1 mm? -76.8 -61.02 2.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.319 . . . . 1.0 110.234 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -39.91 -60.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.513 -178.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -61.88 -28.89 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.341 -0.391 . . . . 1.0 111.291 -178.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.05 -54.58 6.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.276 -177.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.0 pt -72.7 -5.42 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.931 -0.308 . . . . 1.0 111.058 -177.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -89.97 -30.53 17.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 1.0 110.494 179.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' B' ' 99' ' ' ASN . 85.4 t60 -73.48 -23.98 60.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.654 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.38 68.75 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.633 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.492 ' CG ' ' H ' ' B' ' 100' ' ' HIS . 30.3 t-20 -80.57 -162.0 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.426 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.492 ' H ' ' CG ' ' B' ' 99' ' ' ASN . 77.8 t60 -172.59 63.36 0.32 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.538 -0.301 . . . . 1.0 110.714 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.02 -47.65 0.16 Allowed 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.513 2.142 . . . . 1.0 111.95 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -154.68 -78.66 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.296 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.55 179.976 . . . . . . . . 0 0 . 1 stop_ save_