data_2l8k_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 2l8k _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 ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.806 0.336 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.63 -48.66 53.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -58.7 -26.39 63.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -32.09 73.49 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 64.1 t80 -71.45 -36.86 71.38 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.993 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -42.44 79.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.453 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -54.72 -33.52 61.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.217 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -38.77 52.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.37 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.406 ' CG1' ' CG2' ' A' ' 84' ' ' VAL . 91.8 t -61.16 -54.46 34.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.116 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.9 mt -60.18 -27.3 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.991 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -28.31 61.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.512 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 93.7 m -49.48 156.49 0.62 Allowed 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.09 -28.47 15.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.03 140.25 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.03 0.443 . . . . 0.0 111.422 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.419 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 15.3 t -139.54 107.45 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.453 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -148.5 -175.52 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 -179.368 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -110.53 139.77 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.433 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -59.89 -46.26 89.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.494 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -26.07 16.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.682 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -161.73 78.22 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.352 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.43 -34.63 67.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.473 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -81.1 -12.95 59.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.685 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.0 127.7 30.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 111.469 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.96 177.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.753 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mp -95.46 -66.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -175.85 163.61 2.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.616 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -56.75 -43.39 80.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.637 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -34.53 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.623 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.2 -57.36 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.1 t -55.85 -43.51 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.53 78.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.758 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -58.13 -55.08 39.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.529 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -60.91 -33.66 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.354 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -37.54 87.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.599 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.6 -30.79 69.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.8 mt -58.48 -60.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mt -68.06 -43.95 77.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.519 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -54.42 -34.41 61.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -73.21 -27.94 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -33.36 74.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.12 0.486 . . . . 0.0 110.411 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.5 OUTLIER -62.69 -56.51 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.62 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -53.82 -59.74 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.218 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -53.51 -23.62 7.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.622 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -48.02 164.94 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.823 0.344 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -87.64 -33.36 18.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -91.1 98.42 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.76 -30.11 70.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.12 -47.15 63.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -65.14 -40.98 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 p -54.01 -35.91 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -43.18 95.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -60.22 -54.73 42.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -33.74 71.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.465 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -54.04 -36.64 63.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.37 -32.65 37.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.509 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.86 -30.72 70.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.276 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.7 tt -76.69 -29.56 56.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.615 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.38 -24.17 28.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.072 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.2 16.99 25.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.419 ' CZ ' HG12 ' A' ' 26' ' ' VAL . 46.7 t80 -51.35 127.54 20.01 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.879 0.371 . . . . 0.0 111.18 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.8 44.82 6.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.5 p -92.91 152.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.27 112.24 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -150.58 155.9 40.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -84.94 123.41 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.0 t -81.54 159.27 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.34 162.81 40.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.294 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.75 147.94 52.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.966 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.69 -31.03 7.18 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.195 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.07 -158.14 0.09 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.43 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 3.8 mpt_? -155.66 149.8 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.073 0.463 . . . . 0.0 111.568 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.03 117.77 55.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.931 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.406 ' CG2' ' CG1' ' A' ' 20' ' ' VAL . 14.1 p -92.51 118.05 37.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.442 . . . . 0.0 111.208 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 5.7 t -98.04 130.26 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.982 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.9 pt -68.58 -15.18 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.82 -44.67 4.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.296 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.483 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.8 -171.49 22.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.439 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.436 ' O ' HG21 ' A' ' 115' ' ' THR . 14.5 tp -177.94 106.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.606 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.89 -23.85 17.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.415 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.96 156.94 25.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 0.0 111.16 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.2 ttm -66.49 142.99 57.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.626 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -148.81 142.02 25.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.593 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.434 ' CE1' ' CA ' ' A' ' 96' ' ' LYS . 47.3 t-80 -69.06 152.73 44.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.979 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -120.03 -36.62 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.724 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.89 160.63 0.66 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.439 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.4 t70 44.41 -86.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 96' ' ' LYS . 70.1 m-20 -149.09 18.23 0.97 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.612 0.244 . . . . 0.0 111.092 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.1 mt -92.09 127.07 37.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.363 . . . . 0.0 110.464 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -110.24 142.83 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.315 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.6 124.19 45.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.676 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.9 t -111.18 137.14 20.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.24 124.31 10.24 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.781 2.32 . . . . 0.0 111.965 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.459 ' HB3' HG22 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -118.21 -51.61 2.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.641 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.5 m -153.82 128.56 9.41 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.067 0.46 . . . . 0.0 112.111 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 86.5 m -117.64 122.7 44.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.777 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 30.9 mttp -136.74 138.68 41.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.41 118.02 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.046 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.29 128.07 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.17 28.74 64.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.27 32.62 42.65 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -137.79 120.48 16.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 139.8 58.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 34.4 t -140.52 98.74 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.483 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 90.8 m -102.03 143.35 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.157 0.503 . . . . 0.0 111.272 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.459 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -121.26 139.27 48.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.105 178.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 61.0 m -131.98 140.89 49.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.113 0.482 . . . . 0.0 112.282 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.43 ' HA ' ' HG3' ' A' ' 82' ' ' ARG . 10.0 t0 -75.31 138.31 41.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.895 178.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.74 102.91 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 110.559 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.02 141.15 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.152 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -74.61 126.54 31.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.072 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -52.07 60.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.405 ' CE2' ' OD2' ' A' ' 55' ' ' ASP . 28.7 m-85 -63.06 -26.63 68.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.26 -34.82 71.07 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 30.1 t80 -61.69 -36.79 81.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.938 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.485 ' O ' HG21 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -69.96 -33.48 72.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.378 179.459 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.79 -34.21 62.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.54 -48.08 17.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.998 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 17' ' ' LEU . 2.4 m -61.11 -45.76 97.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 CA-C-O 120.932 0.396 . . . . 0.0 110.468 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.427 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 86.7 mt -66.33 -21.95 66.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.664 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.77 -36.69 50.29 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.474 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -44.29 153.58 0.14 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.4 -47.78 9.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.37 140.77 48.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 111.365 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 t -122.52 107.28 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.405 ' CZ ' ' CB ' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -129.83 -175.66 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.58 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.8 t -109.7 147.06 33.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -70.99 -48.45 53.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -25.46 22.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.659 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.71 73.92 0.92 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.561 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.36 -18.07 60.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.384 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -81.99 0.94 37.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.56 155.8 6.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.998 0.428 . . . . 0.0 111.551 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' CB ' ' CZ ' ' A' ' 27' ' ' ARG . . . -79.24 177.53 8.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.893 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HB3' ' HG2' ' A' ' 40' ' ' GLN . 5.0 mp -96.54 -66.91 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.87 150.57 2.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.586 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 p -49.75 -45.27 49.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.973 0.416 . . . . 0.0 110.5 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -75.1 -34.43 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.543 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 1.6 tp-100 -57.74 -58.86 6.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.961 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.66 -32.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.945 0.402 . . . . 0.0 110.7 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.98 89.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -57.05 -56.38 22.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.492 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -64.92 -33.72 76.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.241 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -63.1 -34.08 76.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.747 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -38.61 65.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.061 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.5 mt -52.27 -61.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mt -59.05 -49.74 76.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 110.406 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.418 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 4.3 t30 -54.68 -29.9 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.705 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -68.96 -28.22 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.18 -33.13 71.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.2 OUTLIER -66.63 -56.41 10.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.881 -179.133 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.46 -21.25 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.041 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 50' ' ' ALA . 2.7 m -94.98 22.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.696 0.284 . . . . 0.0 111.449 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD2' ' CE2' ' A' ' 14' ' ' PHE . 5.9 t0 -103.41 153.83 20.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.674 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -77.86 -35.54 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.042 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -81.14 99.11 8.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.23 86.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.27 78.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -65.22 -34.55 78.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -60.16 -49.28 78.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -51.78 -36.38 47.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -63.8 -48.89 75.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -70.21 -43.71 70.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.613 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.454 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -56.16 -37.85 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.37 -31.58 42.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -33.21 71.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.372 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' PHE . 2.3 tt -76.65 -24.97 53.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.755 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.55 -20.74 22.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.404 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.21 16.87 23.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.69 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 68' ' ' LEU . 1.9 t80 -59.0 135.38 57.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.16 31.67 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.239 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.85 151.73 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.42 94.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -140.88 158.47 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.88 126.24 43.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.406 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 10.6 t -81.53 160.86 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.575 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.17 164.07 36.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.409 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.415 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -61.31 145.73 50.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.04 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.64 -31.13 7.08 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -83.36 -158.13 0.28 Allowed 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.27 166.3 29.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.07 0.462 . . . . 0.0 111.588 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.3 t -132.29 121.84 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.217 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 p -92.85 131.43 39.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.061 0.457 . . . . 0.0 111.464 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 3.3 t -108.47 121.84 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.649 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 pt -60.0 -19.34 17.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -102.04 -44.77 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.42 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.494 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.71 -170.36 23.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.629 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tp -178.22 159.18 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.742 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -161.52 43.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -177.55 158.57 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -63.77 117.4 6.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.259 179.503 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -127.12 125.29 40.96 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.436 ' HA ' ' CG1' ' A' ' 100' ' ' VAL . 31.3 t-80 -55.76 149.42 14.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.968 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD2' ' HG2' ' A' ' 96' ' ' LYS . 80.6 t80 -127.37 -30.24 2.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.407 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.45 148.13 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.732 0.301 . . . . 0.0 111.086 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.8 t70 46.67 -89.82 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.222 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' LYS . 57.3 m-20 -141.03 15.31 2.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.674 0.273 . . . . 0.0 111.146 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.8 mt -98.69 124.59 43.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.168 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 94' ' ' HIS . 36.0 m -110.06 178.47 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.389 0.614 . . . . 0.0 112.05 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 93' ' ' ALA . 18.3 mt -121.17 123.6 42.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.254 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.401 ' N ' ' HB3' ' A' ' 117' ' ' CYS . 21.0 t -105.05 136.9 19.11 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.071 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.84 123.33 8.31 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.497 2.131 . . . . 0.0 111.422 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 tp -118.91 -51.33 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.698 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 115' ' ' THR . 24.2 m -159.31 124.11 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.966 0.412 . . . . 0.0 111.624 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 62.6 m -118.28 112.63 20.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.796 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 6.4 mttt -134.81 148.98 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -107.5 129.25 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.02 115.86 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 79.2 2.2 86.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.95 27.32 5.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.526 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.54 119.74 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -59.28 141.01 55.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 37.8 t -140.64 104.19 4.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.494 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 96.4 m -109.16 141.47 41.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.923 0.392 . . . . 0.0 111.215 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.19 142.29 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 75.6 m -134.94 138.73 44.34 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.9 139.03 50.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.773 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.415 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 2.7 t -87.82 114.37 26.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.794 0.33 . . . . 0.0 110.351 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.13 150.09 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.478 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -74.44 146.46 42.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.063 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.038 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.823 0.345 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -52.07 45.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' A' ' 52' ' ' LEU . 82.8 m-85 -70.18 -26.8 64.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -73.31 -34.22 65.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.19 0.519 . . . . 0.0 109.78 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CG ' ' HD2' ' A' ' 107' ' ' LYS . 70.4 t80 -61.75 -36.69 81.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.133 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -68.28 -33.6 74.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.619 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -35.92 68.21 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.64 -47.06 20.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.216 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 17' ' ' LEU . 3.9 m -63.83 -33.31 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 CA-C-O 120.98 0.419 . . . . 0.0 110.496 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.0 mt -79.68 -13.76 59.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.816 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.42 -24.12 18.16 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.043 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.2 p -47.54 170.98 0.01 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.775 0.321 . . . . 0.0 111.105 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.66 -29.14 9.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.228 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.77 143.95 50.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 111.542 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.429 HG13 ' CE2' ' A' ' 71' ' ' PHE . 21.9 t -132.78 112.71 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.497 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.489 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -158.12 137.41 11.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.389 -179.448 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 p -69.62 143.13 53.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.19 85.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mmt -51.92 -29.39 19.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.964 0.411 . . . . 0.0 111.012 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -152.94 66.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' HA ' ' HB3' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -64.1 -18.01 63.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.47 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.21 12.6 36.65 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.56 141.94 7.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.924 0.392 . . . . 0.0 111.587 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.17 177.44 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.859 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -90.85 -66.93 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -171.73 167.27 6.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.693 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 m -57.1 -53.04 62.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.408 ' CE2' ' OE1' ' A' ' 40' ' ' GLN . 51.9 p90 -74.9 -34.28 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.408 ' OE1' ' CE2' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -55.28 -52.86 62.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.019 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -55.87 -42.33 70.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.816 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.31 83.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.09 -47.48 80.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.418 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -67.83 -40.57 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.106 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.2 mtm105 -63.1 -32.04 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.474 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -68.16 -33.38 74.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.55 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 54.9 mt -58.51 -60.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.533 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.13 -44.37 92.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.386 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.469 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.8 t30 -52.45 -31.33 34.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.66 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.456 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -75.61 -27.96 58.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.525 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -73.37 -35.33 65.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.561 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -74.5 -53.24 9.86 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 1.6 pt20 -46.41 -25.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -91.25 22.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.434 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 8.6 t70 -80.12 168.01 19.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.827 0.346 . . . . 0.0 110.702 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -69.74 -34.31 73.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -107.14 110.36 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.1 77.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.59 91.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -32.33 70.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.2 m -62.19 -38.33 88.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -38.91 84.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 -60.28 -40.08 89.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.14 -36.8 75.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.407 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -59.4 -35.17 73.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.35 -33.37 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.331 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.93 -30.76 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.261 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -28.32 56.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.516 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.39 -25.09 33.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.036 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.84 16.84 25.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.249 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CE2' HG13 ' A' ' 26' ' ' VAL . 15.5 t80 -60.86 130.6 47.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.72 66.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.055 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.9 m -103.83 155.74 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -76.84 89.88 3.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -142.28 160.02 41.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -89.57 124.81 34.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.414 HG23 ' CZ ' ' A' ' 95' ' ' PHE . 23.9 t -81.56 141.65 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.78 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.405 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -121.72 161.41 22.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.349 -179.229 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.17 149.8 40.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.135 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.21 -31.15 6.17 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.02 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -75.1 -158.13 0.07 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -150.2 157.67 43.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.102 0.477 . . . . 0.0 111.4 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -126.99 119.73 53.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.334 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.0 p -92.72 118.74 39.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.234 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.6 t -94.75 133.21 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.403 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mt -67.89 -17.97 23.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.714 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 9.2 t0 -104.61 -43.91 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.85 0.357 . . . . 0.0 110.139 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.529 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.33 -172.88 22.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.669 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.415 ' HB3' HG22 ' A' ' 115' ' ' THR . 14.6 tp -177.88 136.78 0.18 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.724 0.297 . . . . 0.0 110.487 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -140.46 48.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.717 0.294 . . . . 0.0 111.334 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.99 160.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.033 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.422 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 3.4 ttt -67.58 123.74 21.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.315 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -134.1 126.23 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.47 ' HA ' ' CG1' ' A' ' 100' ' ' VAL . 16.1 t-80 -60.11 145.28 47.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.414 ' CZ ' HG23 ' A' ' 77' ' ' VAL . 84.0 t80 -123.56 -27.45 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.398 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.61 144.42 0.17 Allowed 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.672 0.273 . . . . 0.0 111.169 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.56 -89.77 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.7 OUTLIER -139.66 11.34 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.641 0.258 . . . . 0.0 111.406 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.0 mt -93.9 121.76 35.69 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.781 0.324 . . . . 0.0 110.197 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 94' ' ' HIS . 28.8 m -110.11 175.23 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.288 0.566 . . . . 0.0 111.597 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 92' ' ' MET . 16.1 mt -118.2 123.33 45.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.127 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.9 t -106.41 135.22 19.52 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.65 123.51 8.34 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.5 2.133 . . . . 0.0 111.468 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.426 ' HB3' ' CG2' ' A' ' 116' ' ' ILE . 3.0 tp -117.67 -51.75 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.987 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.1 m -156.04 128.53 7.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.936 0.398 . . . . 0.0 112.062 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 89.9 m -117.85 104.94 11.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.5 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.423 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 9.8 ttmt -121.71 125.93 47.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.31 137.3 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 14.9 m -136.4 117.49 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.231 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.3 44.39 95.1 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.98 26.81 74.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.558 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.09 140.63 45.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.316 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 11.7 mtm-85 -81.58 140.17 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 17.7 t -140.62 93.94 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.767 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.529 ' HB ' ' HA2' ' A' ' 88' ' ' GLY . 89.2 m -99.67 144.8 28.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.085 0.469 . . . . 0.0 111.344 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.486 ' N ' HG21 ' A' ' 115' ' ' THR . 3.3 tt -122.65 137.23 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.38 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 66.2 m -128.33 142.22 51.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.21 141.65 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.816 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 4.1 t -93.39 110.7 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.797 0.332 . . . . 0.0 110.376 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.14 151.2 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.475 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -74.56 150.66 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.976 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.902 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.792 0.329 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.93 -52.16 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.501 ' HE2' ' HA ' ' A' ' 52' ' ' LEU . 94.5 m-85 -72.77 -28.32 62.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.985 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -36.63 62.02 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -63.12 -36.55 83.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.092 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.61 ' O ' HG11 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -63.59 -37.93 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.62 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -33.48 67.93 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -49.24 14.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.496 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.61 HG11 ' O ' ' A' ' 17' ' ' LEU . 6.9 p -54.38 -30.48 21.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-O 120.822 0.344 . . . . 0.0 111.249 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.2 mt -85.46 -35.8 21.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.688 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -21.1 62.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 33.7 m -55.2 162.25 1.49 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.42 -31.92 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.28 145.07 50.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.943 0.401 . . . . 0.0 111.455 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.42 HG13 ' CE2' ' A' ' 71' ' ' PHE . 22.5 t -132.4 107.4 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.729 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.04 -175.55 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -111.63 145.18 39.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.411 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -65.35 -41.77 93.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.591 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.52 -27.03 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.67 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -153.63 69.79 0.82 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.65 -18.07 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -76.39 -27.65 56.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.504 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -142.56 144.19 32.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 111.61 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.59 177.53 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 4.7 mp -86.28 -66.79 0.86 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 176.28 165.85 0.43 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.726 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.6 t -55.35 -45.66 76.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.638 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -34.56 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.635 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 5.0 mm-40 -61.08 -46.0 92.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.7 t -71.75 -38.29 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.96 95.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.068 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -57.13 -39.39 75.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.593 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -74.99 -38.22 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.48 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -59.52 -46.79 87.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.791 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.14 -32.81 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.399 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 54.1 mt -58.22 -61.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.194 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -38.32 79.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.399 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.472 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 10.0 t30 -57.33 -33.19 67.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.149 0.5 . . . . 0.0 109.858 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -71.12 -27.25 63.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.103 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -40.99 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.61 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.501 ' HA ' ' HE2' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -76.24 -23.9 54.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.223 0.535 . . . . 0.0 110.978 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.601 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -49.71 -45.02 48.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.999 -179.754 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.26 22.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.136 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -73.81 139.84 45.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.766 0.317 . . . . 0.0 110.799 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -63.63 -31.08 72.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.97 101.1 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.32 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.42 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -33.99 73.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 t -58.86 -49.53 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -35.92 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.93 94.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.685 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.13 -34.25 72.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.499 ' CE ' ' HG3' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -65.44 -31.71 72.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.71 -39.46 27.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.482 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -74.47 -37.94 63.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.319 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 tt -76.89 -20.4 56.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.784 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.27 -27.53 47.21 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.7 t0 -109.69 -34.62 6.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.801 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CE2' HG13 ' A' ' 26' ' ' VAL . 5.0 t80 48.05 -85.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.752 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' ASP . . . -88.34 89.19 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 111.024 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 70' ' ' ASP . 3.2 t -103.19 140.23 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.7 89.88 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.742 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -134.22 139.82 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.71 122.71 17.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.771 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.409 HG23 ' CZ ' ' A' ' 95' ' ' PHE . 5.8 t -81.5 155.46 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.16 163.03 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.525 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.7 149.78 48.46 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.14 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -31.15 6.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.114 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.71 -159.97 0.32 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -148.65 156.43 42.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.11 0.481 . . . . 0.0 111.586 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.406 ' HB ' ' CD1' ' A' ' 101' ' ' LEU . 61.4 t -121.33 127.51 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.174 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.4 p -92.83 133.99 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.439 . . . . 0.0 111.601 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 4.1 t -116.14 111.87 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.747 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.2 pt -53.93 -22.03 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.163 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.455 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 11.4 t0 -95.42 -44.19 7.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.068 0.461 . . . . 0.0 109.899 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.52 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.85 -173.52 21.8 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.335 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mt -177.92 119.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.715 0.293 . . . . 0.0 110.573 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -126.11 40.88 3.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.344 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.18 154.71 1.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 2.2 ttt -57.4 126.58 27.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.68 126.48 22.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.442 ' HA ' ' CG1' ' A' ' 100' ' ' VAL . 29.2 t-80 -55.27 149.02 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.409 ' CZ ' HG23 ' A' ' 77' ' ' VAL . 91.4 t80 -129.2 -28.0 2.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.441 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' ASP . 16.9 ttpt 179.69 143.74 0.16 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.698 0.285 . . . . 0.0 111.167 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.58 -89.43 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.0 m-20 -140.01 15.14 2.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.683 0.277 . . . . 0.0 111.143 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.0 mt -97.78 125.0 42.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.18 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 94' ' ' HIS . 30.7 m -109.95 177.92 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.388 0.613 . . . . 0.0 111.757 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 93' ' ' ALA . 17.0 mt -122.25 123.39 41.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.235 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.9 t -105.66 135.31 19.4 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.67 123.37 8.17 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.477 2.118 . . . . 0.0 111.604 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.458 ' HB3' HG21 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -119.81 -51.65 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.641 -179.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.4 m -154.61 123.74 6.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.113 0.482 . . . . 0.0 111.93 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 21.0 m -116.4 111.03 19.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.764 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -131.71 119.94 22.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.57 120.16 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.068 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 m -116.09 121.6 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.33 -65.79 0.99 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.53 35.15 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.434 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.41 125.38 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 9.0 mtm180 -64.92 112.43 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.73 94.63 5.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.52 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 99.3 m -96.86 142.56 28.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 110.841 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.459 ' N ' HG22 ' A' ' 115' ' ' THR . 0.1 OUTLIER -117.76 140.21 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.536 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 70.2 m -135.66 138.98 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -72.43 138.36 47.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.034 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.2 t -87.94 112.63 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.402 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.86 147.24 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 111.487 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.56 151.73 39.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.169 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.956 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.47 -52.13 49.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -59.47 -26.95 65.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.731 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -73.43 -33.37 64.91 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.418 ' CG ' ' HD2' ' A' ' 107' ' ' LYS . 78.0 t80 -63.31 -36.8 84.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.088 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -62.49 -40.34 96.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.221 179.529 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.4 m -54.89 -33.76 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.6 -46.38 22.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.166 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 17' ' ' LEU . 2.6 m -58.97 -46.11 91.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 120.838 0.351 . . . . 0.0 110.715 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 57.6 mt -66.81 -18.61 65.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.879 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -83.25 -28.62 29.05 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.736 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 78.0 m -46.22 170.12 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.854 0.359 . . . . 0.0 111.305 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -101.15 -52.21 3.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.233 -179.653 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.28 140.24 49.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 111.302 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -117.42 107.4 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.906 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.47 174.75 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' LEU . 4.7 t -113.19 150.07 32.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -65.11 -48.11 74.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.638 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.65 -27.12 25.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.793 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -158.85 75.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.586 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -76.02 -17.94 59.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.517 -179.552 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.01 12.43 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.52 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.19 140.34 0.22 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.799 0.333 . . . . 0.0 111.197 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.39 177.54 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -90.84 -66.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.942 0.401 . . . . 0.0 111.007 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -171.9 160.21 5.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.717 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -45.86 78.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.442 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.08 -34.42 61.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.554 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -57.23 13.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.013 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.2 t -55.86 -34.99 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.14 89.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 47' ' ' ILE . 90.7 mt-30 -57.07 -45.22 83.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.386 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -68.72 -38.54 80.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.443 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -62.25 -32.53 73.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -27.13 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 43' ' ' GLN . 9.8 mt -62.69 -61.05 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.23 -35.91 80.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.681 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.19 -35.69 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.651 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -69.91 -27.92 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.029 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -33.17 73.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.046 0.45 . . . . 0.0 110.721 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 1.0 OUTLIER -61.9 -56.69 16.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.823 -179.299 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -50.06 -25.32 3.32 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.23 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 50' ' ' ALA . 1.3 m -104.11 22.36 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.323 . . . . 0.0 111.445 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -87.79 164.58 15.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.691 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -79.91 -30.89 40.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -102.51 99.64 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.17 84.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.09 76.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -32.22 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -59.97 -39.86 87.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -52.1 -36.88 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -48.61 78.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -34.26 72.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.476 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -64.71 -34.0 77.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 -179.744 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.7 -40.52 25.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.581 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -72.93 -32.9 65.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.403 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 tt -76.91 -18.95 57.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.74 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -26.52 39.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.888 0.375 . . . . 0.0 110.992 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.8 t0 -111.51 -34.58 6.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.751 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 48.7 -84.24 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.98 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 70' ' ' ASP . . . -90.97 89.64 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 70' ' ' ASP . 2.3 t -104.89 155.47 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.71 90.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -125.66 139.87 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.017 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.55 120.17 20.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.67 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.7 t -92.46 138.62 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -145.51 -159.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.419 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.461 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -77.08 143.99 38.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.234 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.37 -31.03 8.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.332 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -83.65 -158.04 0.28 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.1 156.61 33.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.13 0.491 . . . . 0.0 111.418 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.04 121.02 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.579 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.2 p -92.76 119.14 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.993 0.425 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 2.7 t -98.16 121.72 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.873 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 86' ' ' ILE . 1.4 mt -56.88 -19.88 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.423 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 0.2 OUTLIER -101.62 -44.17 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.111 0.481 . . . . 0.0 109.762 179.132 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.595 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.22 -170.93 23.05 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.371 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 tp -177.9 111.14 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 111.012 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.91 51.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.137 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.24 156.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.132 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.49 118.25 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -134.42 126.1 28.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.854 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.66 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -56.29 152.37 11.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.083 0.468 . . . . 0.0 111.22 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -122.83 -26.6 4.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.203 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 98' ' ' ASP . 22.5 ttpt 179.43 148.4 0.25 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.642 0.258 . . . . 0.0 110.77 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 49.1 -90.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 96' ' ' LYS . 27.9 m-20 -139.43 4.28 2.17 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 21.3 mt -84.66 138.95 32.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.66 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 32.0 m -121.41 171.43 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.663 0.744 . . . . 0.0 112.428 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.449 ' HB3' ' HB2' ' A' ' 117' ' ' CYS . 21.0 mt -114.1 123.67 50.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.991 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.8 t -109.75 136.13 20.36 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.288 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -47.9 122.87 7.74 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.586 2.191 . . . . 0.0 111.59 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 tp -124.3 -39.63 2.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.483 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.589 ' HB ' HG13 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -152.12 150.79 30.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.652 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 86.3 m -147.81 106.72 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -130.51 133.87 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.061 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.9 t -100.4 141.8 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.119 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.47 115.39 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.223 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.21 29.08 69.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.51 5.27 84.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.814 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.7 m -116.23 122.75 45.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 2.9 mtt-85 -70.19 148.94 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.9 t -140.59 93.21 2.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.66 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.595 ' HB ' ' HA2' ' A' ' 88' ' ' GLY . 63.0 m -103.49 143.76 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.115 0.483 . . . . 0.0 111.365 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.589 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -121.3 141.96 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.365 178.225 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 84.7 m -131.91 133.67 44.83 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.74 136.11 50.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.092 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 78' ' ' THR . 2.1 t -86.4 113.68 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.777 0.322 . . . . 0.0 110.319 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.0 146.14 34.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.979 0.419 . . . . 0.0 111.555 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -74.56 136.84 42.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.126 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.808 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -58.81 -50.37 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.403 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 6.4 m-85 -62.26 -26.61 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -34.25 74.73 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 107' ' ' LYS . 26.4 t80 -62.62 -36.73 83.71 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.827 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -34.81 76.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.46 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.4 t -55.05 -36.54 65.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.23 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.05 -39.3 50.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.506 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.39 -52.08 65.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.914 0.388 . . . . 0.0 110.242 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.66 -20.04 62.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.012 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.66 -21.78 32.34 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.012 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 13.2 p -44.9 162.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 111.269 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -101.8 -30.81 11.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.64 144.45 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.354 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 40.7 t -121.82 127.69 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -148.4 -176.04 5.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -114.95 139.38 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.75 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.413 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -66.06 -45.03 82.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.49 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -57.39 -26.29 60.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.723 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.72 66.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.653 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' SER . 1.0 OUTLIER -70.78 -18.23 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.202 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -77.38 -4.02 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.486 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.93 136.43 1.52 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.819 0.342 . . . . 0.0 111.365 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.56 177.51 2.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.746 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' HB3' ' HG2' ' A' ' 40' ' ' GLN . 4.1 mp -87.61 -66.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 111.076 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.23 149.99 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.609 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.18 -42.29 29.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -74.94 -34.53 62.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.482 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.495 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -60.23 -58.81 6.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.054 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.417 ' CG1' ' CB ' ' A' ' 72' ' ' ALA . 46.0 t -61.6 -37.59 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.71 79.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.738 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -57.16 -36.74 71.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.025 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -70.91 -35.01 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.995 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -62.87 -37.41 86.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.553 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -34.5 77.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.704 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 77.7 mt -54.89 -60.96 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.89 -37.82 83.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.222 0.534 . . . . 0.0 109.801 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.66 -35.59 72.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -65.38 -27.98 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.449 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.14 -33.42 75.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.519 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.2 OUTLIER -75.04 -23.89 58.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.361 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -67.23 -62.69 1.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.33 -178.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -19.36 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.62 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' OD2' ' CZ ' ' A' ' 14' ' ' PHE . 14.3 t70 -47.93 148.73 1.56 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.775 0.321 . . . . 0.0 111.244 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -73.54 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.9 95.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.93 71.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.32 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -31.95 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.9 p -56.34 -44.75 80.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -52.39 -33.89 45.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.332 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -57.38 -47.44 81.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -34.29 72.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.503 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.42 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 4.0 mtt -61.42 -30.05 70.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.5 -34.88 40.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.416 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -69.63 -30.04 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.164 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 tt -76.76 -25.69 53.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.623 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.95 -30.9 62.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.49 16.88 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.225 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.436 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 24.7 t80 -71.11 139.54 50.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.362 . . . . 0.0 111.267 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.417 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . 59.85 31.05 20.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.577 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.9 t -100.49 155.76 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.858 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -69.16 93.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.917 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -123.61 148.33 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.74 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.52 120.52 21.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.03 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.8 t -81.59 158.45 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.31 159.21 39.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.198 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.83 149.86 46.05 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.156 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.08 -31.01 6.56 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.024 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -158.09 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.486 ' HB3' HG12 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -148.15 153.91 39.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.049 0.452 . . . . 0.0 111.67 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.2 t -114.93 119.97 63.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.32 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.5 p -95.91 127.29 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.994 0.426 . . . . 0.0 111.49 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 2.4 t -109.76 131.0 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.71 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.2 pt -70.6 -10.17 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' HB2' ' CB ' ' A' ' 29' ' ' ALA . 7.3 m-20 -109.21 -44.59 3.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.979 0.419 . . . . 0.0 110.184 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.499 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 135.91 -174.88 21.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.56 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.441 ' HB3' HG22 ' A' ' 115' ' ' THR . 16.3 tp -177.92 106.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 110.649 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -99.59 -26.01 14.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.73 153.04 21.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 30.2 ttp -70.05 135.31 49.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.791 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -145.57 150.43 36.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.305 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.4 OUTLIER -83.73 152.5 24.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.947 0.403 . . . . 0.0 110.859 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.418 ' CD2' ' HG2' ' A' ' 96' ' ' LYS . 50.2 t80 -109.47 -30.97 7.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 98' ' ' ASP . 17.5 pttp 178.98 154.73 0.43 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.787 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.25 -88.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.029 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LYS . 12.0 m-20 -141.0 4.19 1.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.5 mt -74.62 119.57 19.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.565 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -110.18 137.66 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.066 0.46 . . . . 0.0 111.404 -179.414 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mt -97.73 123.72 41.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.478 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.0 t -107.74 137.43 19.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.045 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.41 123.57 8.13 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.689 2.259 . . . . 0.0 112.018 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 tp -118.71 -51.38 2.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.653 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.4 m -154.16 127.47 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.943 0.401 . . . . 0.0 111.819 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 91.7 m -119.85 104.54 10.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.769 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.433 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -130.77 147.74 52.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.5 t -106.05 140.82 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.64 130.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.28 -62.06 3.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.12 41.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -163.82 133.37 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 146.11 49.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.0 m -140.51 98.56 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.199 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 105' ' ' THR . 97.7 m -103.56 143.52 32.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 0.0 110.992 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.486 HG12 ' HB3' ' A' ' 82' ' ' ARG . 3.9 tt -122.73 141.69 42.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.998 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 61.0 m -134.21 138.1 44.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 112.057 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.16 148.81 50.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.867 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.4 t -97.1 103.05 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.031 0.444 . . . . 0.0 110.594 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -127.06 139.77 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.967 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -74.5 130.67 40.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.86 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.841 0.353 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.58 -52.14 66.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 38.5 m-85 -67.79 -26.87 66.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.711 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -34.02 66.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 82.4 t80 -62.3 -36.77 83.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.06 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -40.17 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.325 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -35.05 63.56 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.942 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -77.1 -37.83 53.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.231 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.4 t -64.83 -58.53 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.39 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.9 mt -58.43 -23.5 57.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.839 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.21 -32.05 64.54 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.522 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 m -48.64 176.83 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.27 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.22 -62.96 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.26 140.06 49.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.588 ' HB ' ' CG1' ' A' ' 84' ' ' VAL . 1.5 p -124.19 126.32 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.073 0.464 . . . . 0.0 111.246 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.98 -176.49 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.534 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 p -109.61 134.01 52.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.779 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.69 -43.99 85.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.764 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtp -54.82 -25.93 31.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -155.65 67.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.572 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -18.02 64.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.438 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -88.34 12.42 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.61 141.6 0.21 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.918 0.389 . . . . 0.0 111.633 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.08 177.53 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.731 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 4.9 mp -85.31 -67.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.743 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.501 HG21 ' H ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -179.64 -177.28 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 178.653 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -55.8 -76.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.498 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE2' HG23 ' A' ' 37' ' ' THR . 38.0 p90 -52.79 -37.65 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.659 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.501 ' H ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -55.25 -59.01 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.4 t -56.97 -39.6 66.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.911 0.386 . . . . 0.0 110.648 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.51 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.783 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.15 -56.35 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.43 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -58.92 -36.68 75.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.245 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -63.83 -33.83 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.503 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.68 -30.89 64.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.5 mt -57.81 -61.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.45 -42.11 79.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.465 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.16 -30.4 70.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.673 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -72.12 -27.91 62.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -68.43 -33.23 73.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.6 OUTLIER -61.98 -56.69 16.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.832 -179.277 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -49.31 -25.97 2.77 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 50' ' ' ALA . 1.8 m -105.06 22.33 2.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.745 0.307 . . . . 0.0 111.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 27.3 t0 -93.54 159.62 15.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.809 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -70.54 -45.71 64.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.82 94.73 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.81 -29.78 69.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -40.11 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -32.16 65.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.3 p -61.99 -48.93 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.069 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -53.42 -39.36 64.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.201 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -59.58 -40.85 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -70.3 -38.06 74.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.416 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 3.4 mtt -58.16 -31.37 67.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.046 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.48 -34.13 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.621 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -73.18 -33.04 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.353 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 tt -76.81 -21.55 54.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.833 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.26 -25.49 34.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.257 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -103.39 17.03 25.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.266 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.437 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 28.4 t80 -63.46 129.84 41.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 111.378 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.423 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . . . 66.53 36.14 5.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.621 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 68.7 t -107.29 155.78 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.956 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.37 91.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -118.5 139.64 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.771 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.33 111.84 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.0 t -81.45 157.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.74 160.1 41.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.333 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.18 149.81 44.46 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.048 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.14 -31.22 6.44 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.18 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.44 -159.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -147.92 153.19 38.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.079 0.466 . . . . 0.0 111.512 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.68 121.64 68.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.279 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.588 ' CG1' ' HB ' ' A' ' 26' ' ' VAL . 1.5 p -92.77 126.27 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.49 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.4 t -108.2 117.33 53.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.911 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 mt -57.93 -16.24 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.08 -44.23 5.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.172 0.51 . . . . 0.0 109.925 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.488 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.21 -164.37 25.06 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.219 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.6 tp -177.85 107.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.952 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.41 41.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.67 157.05 1.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 23.2 ttm -73.73 126.41 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.59 149.61 44.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.634 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -82.18 152.67 26.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.985 179.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -110.96 -35.3 5.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.178 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' ASP . 10.6 pttp 178.95 162.48 0.76 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 44.84 -90.41 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.8 m-20 -145.89 12.53 1.27 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.62 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.4 mt -85.04 122.41 29.21 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -109.9 137.71 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.133 0.492 . . . . 0.0 111.467 -179.023 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.409 ' HB3' ' HB2' ' A' ' 117' ' ' CYS . 0.6 OUTLIER -98.62 123.94 43.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.394 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.1 t -108.41 131.75 21.56 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.103 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -46.88 123.38 7.2 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.152 1.901 . . . . 0.0 111.669 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.8 tp -121.83 -36.35 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.58 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 115' ' ' THR . 42.4 m -163.15 150.85 13.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 111.458 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 27.5 m -143.59 114.36 7.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.694 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 13.0 mttp -129.01 138.7 52.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.029 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.2 t -104.67 118.34 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.2 t -115.57 121.52 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.055 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.9 -75.68 1.68 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.567 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -165.26 30.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.424 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -149.14 132.47 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -67.14 151.47 47.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 26.4 m -140.48 92.23 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 105' ' ' THR . 87.7 m -100.36 141.53 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.277 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.422 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -123.54 141.97 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.7 178.414 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 41.6 m -132.13 135.22 46.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.988 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.09 147.07 51.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.221 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 3.1 t -94.97 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.952 0.406 . . . . 0.0 110.53 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.91 141.17 46.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.841 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 135.56 42.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.959 0.409 . . . . 0.0 111.028 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.971 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.761 0.315 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -60.78 -52.08 66.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -62.5 -26.77 68.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -76.43 -30.66 57.5 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.03 0.443 . . . . 0.0 110.113 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 107' ' ' LYS . 15.6 t80 -72.41 -54.07 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.696 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.509 ' HG ' ' N ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -60.67 -36.9 79.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.72 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.509 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 3.3 p -59.56 -32.86 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 109.817 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.36 -26.72 52.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.155 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 21' ' ' LEU . 4.4 m -70.28 -30.71 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.193 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.479 ' N ' HG22 ' A' ' 20' ' ' VAL . 5.2 mt -74.8 -23.45 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -80.37 -23.06 40.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.681 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.8 p -47.7 171.14 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -103.46 -24.45 13.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.502 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.13 142.81 38.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 111.423 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.424 HG12 ' CE2' ' A' ' 71' ' ' PHE . 40.7 t -126.2 111.6 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.821 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.405 ' CZ ' ' CB ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -143.03 -175.52 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.405 ' CB ' ' CG1' ' A' ' 86' ' ' ILE . 1.0 OUTLIER -113.67 141.18 47.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.452 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -61.08 -52.83 63.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -25.77 17.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.958 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -151.83 72.95 1.04 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.566 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.85 -17.97 59.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.341 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.29 12.47 13.9 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -172.99 160.76 4.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.898 0.38 . . . . 0.0 111.366 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' CB ' ' CZ ' ' A' ' 27' ' ' ARG . . . -96.77 177.47 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HB2' ' CB ' ' A' ' 40' ' ' GLN . 4.1 mp -95.69 -67.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.676 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.468 HG23 ' HB2' ' A' ' 40' ' ' GLN . 5.2 t 171.61 157.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.556 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -38.16 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.355 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -34.69 61.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.482 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 6.3 mm-40 -69.97 -55.68 8.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.04 -37.3 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.713 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . . . -65.33 -37.58 87.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.058 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -38.07 72.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.082 0.468 . . . . 0.0 109.994 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.427 ' CD1' HD22 ' A' ' 48' ' ' LEU . 9.6 t80 -75.91 -47.68 24.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.485 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.548 ' HG2' ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.98 -26.77 67.8 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.79 -30.35 56.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.699 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mt -58.79 -61.26 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.427 HD22 ' CD1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -68.59 -36.78 79.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.686 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -56.92 -37.99 72.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.059 0.457 . . . . 0.0 110.101 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -68.67 -27.6 66.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.306 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.3 t -66.74 -33.24 75.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.883 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -66.88 -39.92 87.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.194 -178.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -79.23 5.29 12.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.101 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.431 HG21 ' O ' ' A' ' 50' ' ' ALA . 2.0 m -124.21 22.27 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 111.243 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -97.02 170.85 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.811 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.34 -39.67 20.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -86.54 109.2 18.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.59 86.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.21 94.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -60.31 -50.67 72.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -52.03 -51.62 56.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.0 mtt85 -50.98 -33.76 26.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.0 -44.09 64.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -38.27 75.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.564 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -35.07 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.24 -33.98 43.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.15 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -67.29 -28.34 67.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.021 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.407 ' CD2' ' HD3' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -76.46 -29.81 57.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.303 179.3 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.37 -25.62 59.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.82 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -100.53 16.85 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.093 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.424 ' CE2' HG12 ' A' ' 26' ' ' VAL . 31.3 t80 -62.61 131.44 49.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 111.179 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.71 34.43 23.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.358 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.3 p -74.66 155.98 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.22 96.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -143.79 144.39 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.784 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.12 134.09 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.9 t -83.79 155.71 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.701 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.78 157.91 43.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.115 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 119' ' ' VAL . . . -61.39 149.26 38.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.144 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.53 -31.12 6.66 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.31 -158.14 0.15 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 158.28 39.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.208 0.527 . . . . 0.0 111.563 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.7 t -120.11 127.94 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.579 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.5 p -92.78 131.69 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.123 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 2.4 t -109.64 144.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.053 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.405 ' CG1' ' CB ' ' A' ' 28' ' ' SER . 5.6 pt -81.82 -18.72 11.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.795 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -105.82 -44.13 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.168 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.512 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.26 -174.77 21.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.786 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.404 ' HB3' HG21 ' A' ' 115' ' ' THR . 8.3 tp -178.02 115.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.706 0.288 . . . . 0.0 110.79 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.88 44.34 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.202 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.94 153.73 0.84 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 2.7 ttt -57.44 124.41 18.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -134.05 126.7 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.978 0.418 . . . . 0.0 111.959 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -60.03 141.89 54.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.155 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 95' ' ' PHE . 89.5 t80 -134.32 0.64 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.549 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 -167.63 1.53 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.725 0.297 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.42 -46.28 18.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.19 19.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.481 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.9 mt -108.34 123.2 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 34.4 m -110.07 179.64 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.367 0.603 . . . . 0.0 111.869 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 93' ' ' ALA . 14.5 mt -124.65 123.48 40.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.983 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.0 t -106.09 136.82 19.27 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.036 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.69 123.35 8.16 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.513 2.142 . . . . 0.0 111.59 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.447 ' HB3' HG22 ' A' ' 116' ' ' ILE . 11.2 tp -122.97 -51.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.569 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.511 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.8 m -146.37 123.44 11.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.989 0.423 . . . . 0.0 111.607 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 m -117.43 121.41 40.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.782 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.427 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 22.7 mttp -146.09 135.13 22.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.8 t -100.1 142.61 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.954 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.61 122.79 10.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.035 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.74 34.18 85.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.26 28.55 57.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.401 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.2 m -138.54 118.76 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -68.63 146.53 52.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 m -140.56 104.57 4.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.512 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 98.1 m -108.09 141.17 40.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.125 0.488 . . . . 0.0 111.403 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.447 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -118.93 133.37 65.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.199 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.56 140.18 51.3 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.83 138.4 44.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.623 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 2.7 t -87.33 115.65 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.794 0.33 . . . . 0.0 110.33 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.98 149.11 30.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.266 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -74.54 149.36 40.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.907 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -52.13 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 40.7 m-85 -59.01 -27.66 65.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.81 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -81.28 -33.42 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.335 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CG ' ' HD2' ' A' ' 107' ' ' LYS . 10.7 t80 -73.07 -54.2 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.558 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -59.48 -36.2 75.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.48 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.466 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -59.31 -33.96 71.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.152 0.501 . . . . 0.0 109.688 179.308 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.31 -24.38 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.089 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG21 ' N ' ' A' ' 21' ' ' LEU . 4.3 m -71.77 -29.53 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.347 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.466 ' N ' HG21 ' A' ' 20' ' ' VAL . 14.4 mt -76.45 -18.22 58.9 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -25.05 30.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.582 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.2 p -50.16 176.62 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.22 2.18 16.51 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.65 140.31 5.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.934 0.397 . . . . 0.0 111.576 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.401 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 11.9 t -131.27 107.39 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.589 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.55 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -157.76 134.01 9.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.391 . . . . 0.0 111.115 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.6 145.19 56.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.242 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.28 89.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.8 mmt -51.78 -31.0 25.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.717 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -149.8 64.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.225 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -58.38 -19.64 37.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.618 -179.347 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -109.25 -14.26 14.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.502 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -118.56 140.77 49.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 111.446 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.49 177.52 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.44 -66.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.432 . . . . 0.0 110.743 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.57 168.59 0.49 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -51.37 -54.24 28.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.115 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE2' ' HG3' ' A' ' 40' ' ' GLN . 55.3 p90 -74.96 -34.54 62.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 15.3 mt-30 -66.23 -40.18 90.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.328 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.75 -39.7 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 110.798 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.55 -28.01 69.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.519 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -57.02 -44.91 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.529 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -69.46 -42.16 75.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.433 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HD3' ' CD2' ' A' ' 71' ' ' PHE . 15.4 mtm180 -59.66 -30.67 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.755 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -72.59 -31.59 65.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.803 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.4 -59.45 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mt -66.89 -44.89 79.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.1 -31.53 67.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.8 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -71.6 -27.98 63.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -33.17 74.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.87 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.6 OUTLIER -63.59 -56.44 15.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.078 -179.111 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -49.18 -25.55 2.3 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.007 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -103.5 22.27 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.719 0.295 . . . . 0.0 111.316 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 26.9 t0 -98.07 144.78 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.769 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -56.25 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -64.81 100.1 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.82 -48.54 68.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.97 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.175 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 4.5 mtt180 -63.16 -43.07 99.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 t -56.06 -33.24 64.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.195 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -63.33 -50.63 69.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.976 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 60' ' ' ARG . 0.4 OUTLIER -59.38 -32.4 70.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.201 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' HB2' ' CD1' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -69.79 -42.06 74.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.419 . . . . 0.0 110.149 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.476 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 1.8 mtt -58.36 -30.12 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.44 -36.71 33.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.023 0.44 . . . . 0.0 110.324 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -72.16 -32.5 66.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.6 tt -74.46 -23.33 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.431 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.35 -31.28 61.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.993 0.425 . . . . 0.0 110.718 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.49 -34.6 16.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.419 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CD2' ' HD3' ' A' ' 45' ' ' ARG . 45.2 t80 39.53 -92.24 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.963 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.89 58.01 0.62 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.9 0.381 . . . . 0.0 111.223 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.7 p -73.51 145.11 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.32 91.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.004 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -127.79 158.45 37.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.803 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -84.16 123.6 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.429 HG23 ' CZ ' ' A' ' 95' ' ' PHE . 52.1 t -81.55 143.66 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.309 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.63 162.21 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.545 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.3 147.82 50.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.999 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 -31.14 6.66 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -80.7 -158.05 0.18 Allowed 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.16 162.22 40.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.077 0.465 . . . . 0.0 111.367 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.42 ' HB ' HD23 ' A' ' 101' ' ' LEU . 44.9 t -124.3 126.12 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.628 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 10.0 p -94.9 109.86 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.05 0.452 . . . . 0.0 111.394 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.7 t -87.24 133.48 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.38 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.4 mt -70.56 -9.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 12.8 t70 -109.65 -44.38 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.413 . . . . 0.0 110.304 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.5 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.04 -176.84 19.99 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.563 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.438 ' HB3' HG22 ' A' ' 115' ' ' THR . 15.3 tp -177.87 120.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.602 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -125.11 47.08 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 111.559 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.67 157.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.211 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.9 ttt -62.65 124.46 21.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.333 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.43 129.04 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 10.4 t-80 -57.09 144.44 34.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.88 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.429 ' CZ ' HG23 ' A' ' 77' ' ' VAL . 89.5 t80 -124.92 -24.68 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.766 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.444 ' N ' ' CE1' ' A' ' 94' ' ' HIS . 3.7 ttpm? 179.73 135.99 0.11 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.72 -89.53 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.038 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -135.21 9.9 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.585 0.231 . . . . 0.0 111.196 179.624 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.0 mt -92.26 123.3 35.49 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.461 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 30.8 m -109.87 177.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.382 0.611 . . . . 0.0 111.565 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' ALA . 6.2 mt -124.52 123.44 40.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.197 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.3 t -107.2 137.48 19.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.043 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -47.52 123.39 8.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.558 2.172 . . . . 0.0 111.661 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.406 ' HB3' ' CG2' ' A' ' 116' ' ' ILE . 7.1 tp -121.9 -51.86 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.708 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 115' ' ' THR . 2.8 m -152.51 123.69 7.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.089 0.471 . . . . 0.0 111.939 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 91.1 m -116.83 120.7 39.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.727 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.429 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 19.4 ttmm -144.37 131.29 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.0 t -96.99 134.97 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.0 t -138.38 121.37 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.084 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.91 6.39 85.56 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.81 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 99.41 26.31 8.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.61 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.4 118.7 12.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 66.9 mtm180 -60.73 141.63 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.5 105.49 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.5 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 92.5 m -107.73 144.21 35.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.118 0.485 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.492 ' N ' HG21 ' A' ' 115' ' ' THR . 1.0 OUTLIER -119.45 134.12 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.033 178.474 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 92.2 m -128.87 139.98 51.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -73.73 140.96 46.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.684 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.3 t -89.71 112.12 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.931 0.396 . . . . 0.0 110.701 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.8 141.98 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.382 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.19 125.49 29.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -52.22 20.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.408 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 27.9 m-85 -66.7 -30.02 70.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.713 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -30.28 54.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.185 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.63 -54.06 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.505 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 14' ' ' PHE . 1.3 pp -57.85 -36.38 72.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.774 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.404 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 14.9 p -54.85 -40.26 69.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.125 0.488 . . . . 0.0 109.936 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.13 -26.21 52.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.246 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.2 t -62.42 -47.12 94.51 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.061 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.2 mt -59.58 -23.91 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.021 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.15 -29.2 61.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.671 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.9 m -49.6 162.64 0.15 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HB3' ' CG2' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -107.28 16.26 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.502 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.65 145.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 111.309 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.47 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 21.2 t -134.26 122.29 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.834 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 mmt-85 -150.91 -175.84 5.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.425 ' CB ' ' CG1' ' A' ' 86' ' ' ILE . 19.7 p -113.18 134.63 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.77 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.4 ' HB1' HG13 ' A' ' 85' ' ' VAL . . . -57.67 -43.88 85.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.677 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.1 mtt -56.58 -28.2 59.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.832 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -158.37 73.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.491 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -76.48 -18.12 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.392 -179.595 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -5.38 43.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.47 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.14 134.25 6.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.761 0.315 . . . . 0.0 111.416 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.46 177.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.61 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -75.35 -68.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.789 0.328 . . . . 0.0 110.268 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.482 ' HB ' ' O ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER 173.4 171.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.416 178.441 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.73 -64.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.131 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -72.87 -34.5 66.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.913 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.495 ' HB3' ' HB3' ' A' ' 36' ' ' LEU . 20.3 mt-30 -57.31 -52.7 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.583 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.0 t -56.03 -37.55 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.1 83.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.121 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -56.95 -56.29 23.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.419 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -57.39 -33.63 68.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.171 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -65.12 -34.87 79.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.486 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -73.77 -33.1 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.5 mt -54.95 -60.19 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.83 -45.53 89.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.421 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 t30 -59.57 -29.91 68.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.744 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.485 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -70.14 -28.19 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.331 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -33.34 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.408 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.426 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -62.67 -56.48 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.72 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.485 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -55.04 -20.66 9.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.952 -179.277 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 50' ' ' ALA . 5.1 m -101.76 22.29 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.213 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' CE2' ' A' ' 14' ' ' PHE . 10.4 t70 -105.84 169.84 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -98.59 27.62 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.029 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.4 93.53 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.13 81.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.99 -50.51 22.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -65.52 -38.31 89.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 t -60.77 -57.36 13.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -51.05 -35.65 35.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.239 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -59.88 -44.44 94.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -38.86 75.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.426 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 2.9 mtt -55.59 -37.42 68.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.134 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.36 -30.94 42.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.6 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -75.82 -37.31 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.71 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.409 ' CD2' ' HA ' ' A' ' 65' ' ' MET . 4.2 pp -76.78 -16.96 59.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -29.17 57.19 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -101.46 16.93 24.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.47 ' CZ ' ' CG1' ' A' ' 26' ' ' VAL . 54.1 t80 -55.53 137.53 48.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.194 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.39 39.86 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.2 p -97.44 152.18 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -69.46 122.65 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.07 139.55 13.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.89 116.82 11.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.405 ' CG2' ' HB3' ' A' ' 24' ' ' ARG . 22.2 t -89.46 138.02 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 119' ' ' VAL . 0.1 OUTLIER -128.87 -163.32 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.518 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.41 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -83.05 149.45 26.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.371 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.91 -31.07 7.61 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.52 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.79 -158.03 0.16 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.77 148.97 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.08 0.466 . . . . 0.0 111.491 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.7 t -105.51 123.47 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.208 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.9 p -92.7 115.81 32.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.039 0.447 . . . . 0.0 111.135 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.4 HG13 ' HB1' ' A' ' 29' ' ' ALA . 3.3 t -93.64 139.01 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.425 ' CG1' ' CB ' ' A' ' 28' ' ' SER . 2.9 pt -81.82 -5.93 9.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 0.3 OUTLIER -114.17 -44.49 3.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.921 0.391 . . . . 0.0 110.154 179.537 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.479 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.98 -174.39 21.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.787 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.421 ' HB3' HG21 ' A' ' 115' ' ' THR . 10.8 tp -177.99 145.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 110.356 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -146.36 42.73 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.202 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.75 157.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.0 ttt -59.89 127.69 33.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.569 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.16 125.25 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 5.2 t60 -54.83 147.84 14.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.039 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -126.54 -27.37 3.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.19 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.2 OUTLIER 179.22 144.92 0.15 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.631 0.253 . . . . 0.0 111.098 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.8 t70 46.54 -88.35 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.351 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' LYS . 12.8 m-20 -139.81 13.96 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.761 0.315 . . . . 0.0 111.266 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.1 mt -96.36 123.7 40.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.197 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 27.6 m -110.17 176.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.306 0.574 . . . . 0.0 111.864 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 93' ' ' ALA . 14.2 mt -121.77 123.62 42.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 t -105.34 136.22 19.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -47.78 123.44 8.4 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.505 2.137 . . . . 0.0 111.36 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.467 ' HB3' HG22 ' A' ' 116' ' ' ILE . 2.4 tp -120.61 -51.7 2.15 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.9 m -151.2 123.66 8.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.973 0.416 . . . . 0.0 112.018 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 93.9 m -115.86 122.39 45.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.64 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -149.64 132.88 16.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.9 t -84.91 125.51 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.058 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 25.1 t -116.78 122.05 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.24 -69.33 1.1 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.595 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -170.66 35.54 0.17 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.405 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -158.09 129.69 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.314 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.405 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 1.9 mtp180 -59.55 144.88 46.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 10.4 m -140.54 106.16 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.479 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 91.5 m -105.31 143.28 33.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 0.0 111.099 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.467 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -116.46 137.86 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 71.3 m -133.39 139.18 46.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.79 140.38 45.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.774 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 78' ' ' THR . 3.9 t -90.69 110.77 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.83 0.348 . . . . 0.0 110.401 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.5 144.01 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 0.0 111.439 -179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -74.75 134.07 41.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.009 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.772 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.54 -52.04 62.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 55' ' ' ASP . 53.9 m-85 -72.87 -26.92 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -74.05 -36.83 64.41 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.209 0.528 . . . . 0.0 109.711 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CG ' ' HD2' ' A' ' 107' ' ' LYS . 79.9 t80 -60.05 -36.66 77.8 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.139 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -65.43 -36.07 82.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.291 179.516 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.0 t -54.87 -35.16 63.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -77.58 -47.81 18.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.142 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 17' ' ' LEU . 2.7 m -58.84 -47.25 89.96 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.358 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 83.9 mt -61.29 -22.2 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.87 -24.69 48.44 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.737 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.0 p -47.02 170.22 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.819 0.342 . . . . 0.0 111.196 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -104.35 -28.71 11.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.044 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.98 140.64 31.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.185 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.423 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 22.0 t -111.56 107.26 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.55 178.77 6.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.9 p -118.88 152.79 35.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.745 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.39 -34.39 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.4 mtt -55.91 -28.06 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.978 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -159.15 54.71 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -22.32 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.502 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -70.1 -10.82 60.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.646 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.25 175.14 13.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.96 0.409 . . . . 0.0 111.401 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.72 177.32 6.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.793 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 4.1 mp -96.01 -66.65 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 177.49 160.91 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.784 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -53.28 -44.44 68.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.634 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -74.99 -34.55 61.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.659 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 3.8 mm-40 -59.46 -57.79 11.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.996 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.8 m -58.87 -34.0 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.514 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . . . -65.21 -38.6 90.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.475 ' O ' HG13 ' A' ' 47' ' ' ILE . 9.2 tp-100 -57.17 -43.06 82.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 110.067 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -75.75 -46.89 28.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.736 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HG2' ' HA ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -58.35 -26.8 63.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -76.76 -33.6 58.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.712 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 43' ' ' GLN . 9.7 mt -55.46 -60.86 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.85 -44.16 86.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.443 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -56.97 -36.12 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.528 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 -28.02 64.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.692 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -33.34 75.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.578 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 3.7 mt -59.5 -53.94 52.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.419 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.436 ' H ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -46.48 -40.31 12.2 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.888 0.375 . . . . 0.0 111.269 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 m -93.75 22.38 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.667 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.418 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 38.1 t0 -88.19 155.82 19.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.642 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -71.43 -70.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.98 106.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.18 69.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.2 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.49 77.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.071 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -65.99 -36.32 82.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.8 p -56.22 -47.66 78.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -54.76 -38.83 67.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -62.0 -46.68 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -38.59 75.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.759 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.456 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.55 -38.72 75.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.53 -32.89 36.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -72.47 -35.89 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.581 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 tt -76.56 -22.08 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.995 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.54 48.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.252 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.2 16.84 22.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.423 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 9.5 t80 -60.79 144.28 52.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.1 33.49 19.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.0 p -92.42 150.68 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 89.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.86 141.13 48.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.795 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.85 114.76 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.406 HG23 ' CE2' ' A' ' 95' ' ' PHE . 48.7 t -81.46 151.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.677 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.06 160.26 40.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.269 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.57 148.56 45.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.136 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.78 -30.99 6.85 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -76.75 -158.0 0.1 Allowed 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -149.55 165.52 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 111.57 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.6 t -136.06 129.12 46.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.393 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.7 p -95.84 116.08 36.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.0 111.53 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -89.15 110.02 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.469 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.9 mt -50.48 -23.96 2.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.775 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 28.9 t0 -96.57 -43.84 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.132 0.491 . . . . 0.0 109.86 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.477 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.09 -169.16 23.76 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.318 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.41 ' CB ' HG21 ' A' ' 115' ' ' THR . 2.4 mt -177.92 146.34 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.599 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.22 33.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.253 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.37 156.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.048 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.7 ttt -52.72 126.1 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.754 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.35 124.7 20.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.447 ' HA ' ' CG1' ' A' ' 100' ' ' VAL . 29.7 t-80 -57.29 144.81 34.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.974 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.406 ' CE2' HG23 ' A' ' 77' ' ' VAL . 55.8 t80 -123.15 -29.77 3.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.246 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 98' ' ' ASP . 23.8 pttt 179.35 149.02 0.26 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.727 0.299 . . . . 0.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.52 -90.03 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' LYS . 2.8 m-20 -140.8 12.5 2.27 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.581 0.229 . . . . 0.0 111.358 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 33.1 mt -95.66 123.81 39.39 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.447 ' CG1' ' HA ' ' A' ' 94' ' ' HIS . 27.8 m -109.88 177.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.23 0.538 . . . . 0.0 111.634 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 93' ' ' ALA . 15.6 mt -123.36 123.58 41.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.42 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.4 t -105.32 137.25 19.21 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.992 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.49 123.52 8.15 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.69 2.26 . . . . 0.0 111.67 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.457 ' HB3' HG22 ' A' ' 116' ' ' ILE . 4.5 tp -123.74 -51.76 1.81 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.865 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.5 m -151.85 123.69 8.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 112.092 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 14.6 m -118.98 118.17 30.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.8 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 13.9 ttmt -139.63 123.87 17.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.6 t -81.34 105.87 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.4 m -124.44 132.95 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.98 35.29 54.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.4 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 63.78 28.24 72.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.496 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 m -147.99 156.76 43.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 1.7 mtt180 -82.01 142.52 32.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 3.2 t -140.61 96.08 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.477 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 89.0 m -103.17 144.71 30.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 111.069 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.457 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -121.36 137.92 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.769 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 71.4 m -133.78 141.64 47.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -72.45 139.93 47.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.773 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.71 113.7 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.857 0.361 . . . . 0.0 110.369 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.28 144.17 37.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.39 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -74.44 147.53 41.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.88 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.795 0.331 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -52.16 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.756 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -65.1 -26.88 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -75.37 -38.17 60.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.202 0.525 . . . . 0.0 109.681 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' A' ' 107' ' ' LYS . 27.7 t80 -62.85 -36.73 84.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.005 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -62.16 -39.87 94.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.234 179.4 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -54.64 -34.59 62.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -77.55 -47.37 19.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.998 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 17' ' ' LEU . 2.2 m -61.81 -45.0 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 57.7 mt -69.74 -20.22 63.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.734 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.96 -26.3 34.09 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.756 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 1.6 m -45.24 165.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.89 -9.45 24.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.863 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.12 144.01 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.694 ' HB ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -129.29 136.67 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 179.737 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -160.75 150.27 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.832 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.428 ' N ' HG12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -70.79 130.91 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 -179.757 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.22 -34.18 73.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.499 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.4 mtt -59.48 -28.62 67.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.674 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -155.86 61.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 ' CD2' ' CB ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -57.93 -21.62 44.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.269 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 12.53 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.592 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.5 126.71 1.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.819 0.342 . . . . 0.0 111.413 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.79 177.47 7.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 3.1 mp -84.63 -67.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.815 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 1.1 t 171.92 158.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.03 -51.76 9.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.239 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -34.43 76.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.04 -55.77 6.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.028 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.8 t -55.81 -38.78 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.448 ' HA ' ' NH1' ' A' ' 45' ' ' ARG . . . -65.4 -38.23 89.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.964 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -57.06 -49.68 75.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.524 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -65.13 -34.81 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.321 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' NH1' ' HA ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -65.34 -39.66 92.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.829 179.721 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.81 -33.33 73.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.72 -58.75 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.67 -42.66 91.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.487 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -56.62 -31.92 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -73.9 -27.69 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.057 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -33.35 75.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -64.09 -56.59 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.809 -179.262 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -55.22 -58.17 8.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -179.561 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -49.56 -27.05 2.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.5 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -55.02 169.61 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -105.48 27.36 8.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.184 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.41 85.71 2.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.028 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.08 -30.37 69.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.06 -47.97 40.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -35.33 60.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.185 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.6 p -59.15 -52.43 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.18 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 5.1 ptt-85 -50.98 -33.71 25.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.197 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 62' ' ' ARG . 3.2 mtp180 -62.99 -46.78 86.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.785 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -35.46 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.745 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.45 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 1.8 mtt -56.93 -30.52 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.057 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.56 -35.37 34.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.825 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -71.11 -34.21 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.618 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 tt -76.92 -22.51 53.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.837 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.24 -26.01 37.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 72' ' ' ALA . 1.2 t0 -111.58 -34.74 5.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.438 ' CZ ' HG23 ' A' ' 26' ' ' VAL . 11.2 t80 39.55 -90.36 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.006 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' ASP . . . -81.2 71.11 8.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.841 0.353 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.1 m -68.94 139.73 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.304 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -81.47 89.88 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -157.35 160.01 38.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.24 139.83 37.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.8 t -81.55 160.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.381 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -142.58 160.67 39.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.446 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.456 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -61.43 145.31 52.13 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.183 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.13 7.04 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -80.86 -158.14 0.19 Allowed 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.424 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 0.7 OUTLIER -154.76 157.65 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.165 0.507 . . . . 0.0 111.47 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.4 t -120.15 118.49 57.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.295 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.694 ' CG1' ' HB ' ' A' ' 26' ' ' VAL . 6.3 p -93.08 113.87 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 111.036 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.8 t -93.32 115.62 32.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.29 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.428 HG12 ' N ' ' A' ' 28' ' ' SER . 8.8 pt -55.32 -21.26 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.037 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 2.7 t0 -97.58 -43.98 6.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 109.872 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.482 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.69 -173.26 21.88 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.088 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.428 ' CB ' HG23 ' A' ' 115' ' ' THR . 2.7 mt -177.89 106.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -114.8 43.59 1.93 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.977 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.19 155.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 32.0 ttm -59.67 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.64 124.32 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 86.6 t60 -65.31 152.55 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -121.89 -34.94 3.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.926 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.77 153.58 0.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.647 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.9 t0 44.59 -87.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.122 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 96' ' ' LYS . 9.7 m-20 -141.86 13.19 2.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.466 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.1 mt -88.33 119.79 29.09 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.461 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -114.18 141.25 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.428 -179.396 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.4 mt -98.84 129.96 45.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.105 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.5 t -115.71 138.25 23.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -47.68 123.57 8.45 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.737 2.291 . . . . 0.0 111.973 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.447 ' HB3' HG22 ' A' ' 116' ' ' ILE . 2.1 tp -119.97 -51.74 2.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.792 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.8 m -150.96 123.65 8.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.95 0.405 . . . . 0.0 111.941 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 16.9 m -119.57 117.83 29.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.84 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.423 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 8.0 mttp -135.89 144.17 45.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.8 t -99.36 123.43 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.02 114.71 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.24 32.3 48.65 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.79 27.76 70.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.7 m -140.88 137.64 33.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 4.0 mtm180 -80.53 126.95 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -118.38 92.37 3.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.834 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.482 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 90.8 m -96.89 142.98 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 111.056 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.461 ' N ' HG22 ' A' ' 115' ' ' THR . 0.1 OUTLIER -123.77 137.65 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.435 178.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 67.4 m -129.91 141.15 50.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.026 0.441 . . . . 0.0 112.142 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.424 ' HA ' ' HG3' ' A' ' 82' ' ' ARG . 24.9 t70 -74.78 138.51 42.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 5.4 t -87.97 102.97 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.984 0.421 . . . . 0.0 110.647 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.13 140.3 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.129 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -74.71 119.1 18.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.78 0.324 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.29 -44.77 95.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' CD1' HD23 ' A' ' 17' ' ' LEU . 2.5 m-85 -72.87 -26.73 61.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -28.66 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 109.999 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 18.0 t80 -73.87 -54.29 8.31 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.525 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.513 ' O ' HG21 ' A' ' 20' ' ' VAL . 1.2 pp -63.7 -36.48 84.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.993 0.425 . . . . 0.0 110.229 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.439 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 46.8 t -64.38 -34.01 77.17 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -77.44 -26.34 51.44 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.82 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 17' ' ' LEU . 3.7 m -73.15 -32.95 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.049 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.486 ' N ' HG21 ' A' ' 20' ' ' VAL . 11.3 mt -66.72 -22.5 66.06 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.19 -33.01 71.2 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.084 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.8 m -45.49 169.69 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.53 -46.19 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.35 140.24 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.955 0.407 . . . . 0.0 111.259 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.423 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 21.7 t -120.48 107.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 0.7 OUTLIER -138.94 175.75 9.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.08 150.78 28.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -67.46 -46.86 71.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.728 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.2 mmm -55.52 -26.14 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.726 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 31' ' ' ASN . 8.0 p-10 -155.71 71.95 0.77 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.51 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.79 -18.9 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.47 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -91.42 12.51 20.38 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.1 134.96 0.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 111.447 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.83 177.56 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.774 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 4.7 mp -77.15 -67.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.613 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.499 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 0.1 OUTLIER 175.71 166.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.733 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.8 m -44.62 -68.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.868 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.448 ' CZ ' ' CG2' ' A' ' 37' ' ' THR . 41.4 p90 -53.62 -34.43 58.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.602 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.499 ' HB2' ' CG2' ' A' ' 37' ' ' THR . 0.9 OUTLIER -66.16 -58.63 5.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 111.475 -179.798 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.3 t -55.43 -41.32 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.61 92.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.704 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -53.45 57.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.157 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -59.32 -35.38 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.221 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -63.5 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.88 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.11 -29.05 48.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.6 mt -58.6 -61.16 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 48' ' ' LEU . 1.9 mt -65.74 -49.83 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.751 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -53.43 -29.99 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -73.84 -27.88 61.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -33.04 74.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -65.95 -56.73 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.018 -178.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -53.32 -55.11 27.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 111.675 -179.193 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 m -49.22 -26.52 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.62 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.91 171.2 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -97.18 -32.82 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.99 89.12 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.64 78.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.26 81.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.182 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -75.97 -37.27 58.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.082 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.7 t -62.42 -49.79 74.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.353 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.93 -33.75 25.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.303 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -69.16 -44.25 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -70.3 -42.61 71.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.456 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 1.6 mtt -54.18 -33.58 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.59 -31.0 47.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.367 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -32.15 66.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.385 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.8 tt -76.84 -23.05 52.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.88 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.17 -23.85 23.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.258 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -105.5 16.79 24.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.223 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.423 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 34.3 t80 -58.21 136.37 57.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.832 0.349 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.02 44.37 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 p -97.51 153.14 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -79.9 118.89 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -161.96 154.55 19.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -83.45 130.23 35.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.429 ' CG2' ' CE2' ' A' ' 95' ' ' PHE . 3.2 t -81.64 162.13 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.25 163.12 39.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.392 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.437 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.88 146.35 53.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.306 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.86 -31.03 6.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.349 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -77.88 -158.16 0.12 Allowed 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.405 ' HG2' ' CD2' ' A' ' 104' ' ' LEU . 1.7 mpt_? -154.93 151.79 28.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.059 0.457 . . . . 0.0 111.624 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.9 t -116.13 123.95 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.241 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.3 p -92.84 120.91 42.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.946 0.403 . . . . 0.0 111.365 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 5.7 t -101.09 110.73 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.431 HG23 HD13 ' A' ' 86' ' ' ILE . 4.2 mt -45.76 -27.76 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.813 -178.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 1.0 OUTLIER -94.51 -43.74 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.609 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.05 -172.16 22.46 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.228 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.1 tp -177.84 106.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.409 . . . . 0.0 111.098 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.449 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 14.0 m-20 -117.94 53.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.611 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.61 145.18 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 4.7 ttt -59.16 120.29 8.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.434 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -136.11 128.47 30.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 31.3 t-80 -59.87 147.92 36.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.776 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.429 ' CE2' ' CG2' ' A' ' 77' ' ' VAL . 66.1 t80 -123.47 -31.32 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.355 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.26 153.88 0.44 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.745 0.307 . . . . 0.0 111.165 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 46.65 -88.83 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.364 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 96' ' ' LYS . 58.3 m-20 -146.77 20.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.939 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.0 mt -104.03 125.69 50.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.279 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 24.8 m -110.26 173.15 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.444 0.64 . . . . 0.0 111.726 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' ALA . 12.5 mt -116.64 123.38 47.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.107 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 117' ' ' CYS . 21.6 t -108.84 138.71 20.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.794 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.449 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 4.6 Cg_endo -46.95 123.4 7.32 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.493 2.128 . . . . 0.0 111.634 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.405 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 7.9 tp -118.11 -47.18 2.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.492 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' A' ' 115' ' ' THR . 23.3 m -163.6 129.44 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.032 0.444 . . . . 0.0 111.586 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 87.0 m -121.49 115.97 23.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.812 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 11.3 mttm -138.14 145.69 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.9 t -111.71 130.37 65.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.6 t -127.89 117.72 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.41 -57.83 4.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 171.41 43.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.558 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.3 m -153.62 135.55 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 7.8 mtm180 -77.58 109.41 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.989 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 23.1 t -107.42 103.51 12.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.609 ' HB ' ' HA2' ' A' ' 88' ' ' GLY . 75.9 m -113.38 152.64 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 110.888 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.403 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -129.84 142.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.807 178.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 102' ' ' VAL . 86.0 m -129.3 139.41 51.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.187 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -71.58 138.45 48.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.153 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.437 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 2.7 t -90.35 110.85 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.19 147.62 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.52 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -74.62 152.41 39.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.024 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.974 -179.899 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.44 93.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.412 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 11.5 m-85 -71.56 -26.96 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.75 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -77.66 -29.4 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.344 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.464 ' CE2' ' CB ' ' A' ' 107' ' ' LYS . 48.3 t80 -73.33 -54.29 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.502 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 14' ' ' PHE . 1.8 pp -62.22 -36.23 81.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.368 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -59.16 -45.36 91.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.996 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 22' ' ' ASP . 76.8 m-20 -77.02 -14.37 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.623 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.5 t -73.98 -46.58 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' HB3' ' HB3' ' A' ' 67' ' ' LYS . 38.4 mt -57.93 -25.61 61.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.921 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 2.4 m-20 -61.89 -28.31 69.42 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.283 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 13.8 p -50.57 -179.06 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.139 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -109.38 -45.61 3.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.574 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.17 148.27 37.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 111.582 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.472 ' HB ' ' CG1' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -109.76 132.2 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.524 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -156.9 142.05 17.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.16 133.9 46.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.73 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' CB ' HG11 ' A' ' 85' ' ' VAL . . . -60.81 -41.69 96.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 110.345 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.3 mtt -54.82 -25.64 29.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.395 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -147.74 58.53 1.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.228 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -26.15 5.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.529 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -101.64 12.62 36.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.612 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.2 134.73 19.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 111.349 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.77 177.51 6.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.797 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 3.6 mp -95.39 -66.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.55 160.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.798 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -44.31 70.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.615 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -34.48 62.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.453 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 1.5 mp0 -59.91 -56.72 18.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.018 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.2 -34.05 52.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.47 84.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -57.12 -56.42 21.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.542 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.18 -34.95 74.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.493 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -61.56 -36.42 80.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.797 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -74.13 -28.97 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.0 mt -56.73 -61.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mt -64.79 -35.81 82.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.048 0.452 . . . . 0.0 110.01 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.414 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 3.2 t30 -60.93 -44.18 97.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.493 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -59.07 -28.17 66.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.965 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.43 ' O ' HG21 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -69.16 -32.95 72.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.113 0.482 . . . . 0.0 110.406 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 4.1 mt -64.85 -54.07 36.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.074 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -47.87 -26.37 1.66 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.38 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -100.26 22.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.872 0.367 . . . . 0.0 111.483 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -92.88 171.1 9.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.658 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -48.54 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.55 101.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.35 69.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.57 78.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.16 -36.7 61.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -57.27 -33.34 67.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -39.57 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -43.87 93.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -41.36 74.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.469 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -59.33 -38.8 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.957 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.55 -35.84 33.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.388 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 29.7 mtpt -68.35 -30.44 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.28 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 tt -76.85 -27.08 54.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.563 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.15 -26.41 50.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.53 17.36 23.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.447 ' CE2' HG22 ' A' ' 26' ' ' VAL . 30.4 t80 -40.63 -70.56 0.1 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.894 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . . . -99.1 28.75 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.99 150.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -76.18 89.81 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.659 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -133.95 160.11 38.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.49 139.14 30.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.979 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 16.9 t -103.43 140.36 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -140.03 -161.17 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.69 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.488 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -82.95 149.72 26.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.288 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.56 -31.17 7.77 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.422 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -90.49 -163.34 1.01 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -151.37 161.09 43.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.138 0.495 . . . . 0.0 111.781 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.6 t -113.48 125.92 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.411 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG1' ' HB ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -92.65 124.38 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.322 179.639 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.421 HG11 ' CB ' ' A' ' 29' ' ' ALA . 3.1 t -106.94 125.39 63.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.054 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 39.9 pt -69.99 -9.73 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.754 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.27 -44.79 3.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.96 0.409 . . . . 0.0 110.004 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.511 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.71 -171.21 22.77 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.55 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 115' ' ' THR . 9.8 tp -177.98 106.64 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.62 45.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.235 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? 176.49 159.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.03 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 145.02 47.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.75 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.17 122.93 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.802 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.417 ' CE1' ' CA ' ' A' ' 96' ' ' LYS . 34.5 t-80 -64.15 152.46 40.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CD2' ' HD3' ' A' ' 96' ' ' LYS . 29.6 t80 -125.7 -33.45 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.568 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.01 153.02 0.38 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.657 0.265 . . . . 0.0 111.192 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 46.16 -88.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.274 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 96' ' ' LYS . 58.5 m-20 -144.46 17.5 1.68 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.644 0.259 . . . . 0.0 111.275 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.2 mt -90.13 119.83 30.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 0.0 110.311 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.28 137.82 42.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.371 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.4 mt -93.93 123.79 37.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.229 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.403 ' CG1' ' HD2' ' A' ' 103' ' ' PRO . 4.0 t -109.09 137.27 20.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.403 ' HD2' ' CG1' ' A' ' 102' ' ' VAL . 5.6 Cg_endo -47.76 123.41 8.33 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.575 2.184 . . . . 0.0 111.768 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 116' ' ' ILE . 5.4 tp -113.73 -50.61 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.304 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 115' ' ' THR . 20.5 m -160.9 131.76 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 111.642 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.6 m -119.7 120.18 35.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.464 ' CB ' ' CE2' ' A' ' 16' ' ' PHE . 4.5 tttm -142.96 138.83 30.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.029 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.7 t -97.2 140.46 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.016 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.15 123.89 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.37 -62.46 2.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 177.95 39.48 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -156.95 138.74 14.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.78 145.21 48.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 9.0 m -140.49 110.27 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.078 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.511 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 87.9 m -115.01 141.09 48.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 111.198 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.507 HG23 HD11 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -117.33 142.44 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 66.2 m -134.01 135.82 43.66 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.26 141.43 50.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.697 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' A' ' 78' ' ' THR . 10.7 t -91.18 103.03 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.008 0.432 . . . . 0.0 110.871 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.4 ' CG2' HG21 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -123.6 139.38 50.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.95 -179.801 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -74.54 114.96 13.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.009 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.661 0.267 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.46 -52.85 63.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 110.799 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CE2' ' OD1' ' A' ' 55' ' ' ASP . 4.3 m-85 -73.3 -26.71 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.79 -35.49 70.02 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 107' ' ' LYS . 36.4 t80 -62.33 -38.78 90.79 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.912 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -62.69 -33.58 75.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.271 179.479 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -35.7 72.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.6 -45.27 25.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.452 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 17' ' ' LEU . 2.7 m -57.6 -44.3 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.08 0 CA-C-O 121.023 0.439 . . . . 0.0 110.745 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 2.7 mt -70.62 -20.41 62.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.058 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -90.04 -18.9 25.09 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.085 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -43.98 162.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.703 0.287 . . . . 0.0 111.221 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -99.76 9.08 43.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.813 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.27 140.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 111.523 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.448 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 28.6 t -126.71 107.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.6 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' CZ ' ' CB ' ' A' ' 35' ' ' ALA . 1.2 mmp_? -142.03 -176.51 4.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.147 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 32' ' ' LEU . 1.2 t -113.24 140.84 47.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.713 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.429 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -60.31 -45.75 92.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.809 0.337 . . . . 0.0 110.755 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -31.06 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.623 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -140.11 63.76 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.571 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' SER . 8.3 tp -76.94 -18.18 58.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.107 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.99 -26.44 60.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.933 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.15 144.3 24.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.208 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.403 ' CB ' ' CZ ' ' A' ' 27' ' ' ARG . . . -69.16 177.41 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.423 ' HB2' ' CB ' ' A' ' 40' ' ' GLN . 2.7 mp -88.55 -66.85 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.403 ' CG2' ' CG ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER 176.25 153.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.642 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -46.0 -41.88 12.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.69 -34.24 69.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.698 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 10.7 mm100 -68.99 -58.31 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.0 t -55.82 -36.59 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.2 95.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.27 -44.75 84.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.283 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -67.16 -36.09 81.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.084 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -63.7 -43.07 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.577 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -57.59 -32.86 67.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.841 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.2 mt -61.34 -60.94 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.7 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.39 -50.05 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.686 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.402 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 4.0 t30 -57.16 -29.8 63.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -69.58 -28.19 65.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.28 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.9 t -70.52 -33.22 70.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.2 OUTLIER -66.78 -56.53 10.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.953 -179.1 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -53.19 -23.14 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.002 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 50' ' ' ALA . 3.7 m -95.47 22.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.742 0.306 . . . . 0.0 111.361 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' OD1' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -104.31 137.78 41.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.804 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -59.32 -39.93 84.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.32 89.35 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.69 84.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 -46.73 89.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.182 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -61.68 -54.52 41.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -56.29 -36.89 69.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -36.72 67.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.684 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.438 ' HG2' ' CD2' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -68.96 -37.15 78.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.7 0.286 . . . . 0.0 111.163 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.438 ' CD2' ' HG2' ' A' ' 63' ' ' ARG . 0.6 OUTLIER -70.07 -43.41 71.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.029 0.442 . . . . 0.0 110.442 179.578 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.449 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 2.2 mtt -55.45 -31.65 62.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.094 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.36 -33.79 42.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.245 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -70.99 -30.76 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.108 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.41 -25.15 57.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.554 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.1 -22.88 30.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.37 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -107.24 17.08 23.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.499 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.448 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 3.8 t80 -67.43 138.66 56.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 111.082 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.86 42.19 16.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.6 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -107.12 154.8 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.91 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -70.6 89.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.31 139.54 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.661 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.27 138.76 54.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.8 t -98.74 158.62 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.553 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -151.51 158.33 43.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.281 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.19 146.47 50.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.076 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.92 -31.05 7.25 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.02 -158.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -156.62 156.24 33.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.156 0.503 . . . . 0.0 111.928 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.0 t -118.34 127.13 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.435 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.6 p -94.12 114.28 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.886 0.374 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 4.1 t -94.13 114.85 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.989 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 28' ' ' SER . 35.2 pt -55.27 -24.22 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.844 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.571 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 2.7 t70 -93.59 -44.32 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.536 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.36 -168.36 23.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.923 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 tp -178.12 154.9 0.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.664 0.269 . . . . 0.0 110.342 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -159.82 38.13 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.661 0.267 . . . . 0.0 111.493 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.0 155.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 111.128 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -57.52 115.29 2.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.619 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.15 123.64 40.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.002 0.429 . . . . 0.0 111.647 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.44 ' CE1' ' N ' ' A' ' 96' ' ' LYS . 12.4 t-80 -58.42 145.49 38.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -124.44 -26.43 3.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.593 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' ASP . 14.1 pttt 179.68 136.85 0.11 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.669 0.271 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.11 -88.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' LYS . 42.8 m-20 -132.64 -10.34 3.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.64 119.55 18.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 94' ' ' HIS . 30.9 m -110.99 -178.63 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 111.571 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' MET . 18.6 mt -123.44 123.44 40.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.132 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.404 HG23 ' CG2' ' A' ' 120' ' ' VAL . 21.3 t -105.01 136.78 19.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.32 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.38 123.66 9.47 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.563 2.175 . . . . 0.0 111.523 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.495 ' HB3' HG22 ' A' ' 116' ' ' ILE . 12.2 tp -122.09 -52.01 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 115' ' ' THR . 25.3 m -156.2 126.93 6.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.963 0.411 . . . . 0.0 112.096 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 94.6 m -118.41 118.65 32.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.698 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 22.0 mttm -131.6 128.03 38.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.87 139.89 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.66 126.1 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.43 -80.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.378 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -155.8 28.51 0.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.71 141.27 24.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 13.4 mtm180 -85.28 160.48 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.2 t -140.77 90.35 2.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.653 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.536 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 89.9 m -96.57 142.83 28.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.082 0.467 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.495 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -124.94 135.26 64.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.17 179.078 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 74.1 m -132.57 135.44 45.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -70.3 142.0 52.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.815 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.02 116.6 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.724 0.297 . . . . 0.0 110.354 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.404 ' CG2' HG23 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -139.16 150.36 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.417 -179.199 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.28 138.46 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.032 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.031 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.831 0.348 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -59.1 -50.16 75.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.818 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.41 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 20.1 m-85 -72.79 -27.63 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.866 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.26 -30.02 57.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.125 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.421 ' CG ' ' HD2' ' A' ' 107' ' ' LYS . 44.7 t80 -70.55 -54.05 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.268 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 14' ' ' PHE . 1.9 pp -67.46 -36.53 81.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.639 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -59.77 -39.98 86.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.102 0.477 . . . . 0.0 109.955 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -22.8 51.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.316 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.8 t -66.51 -47.51 83.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.84 0.352 . . . . 0.0 110.106 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.47 -19.62 63.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.162 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -79.34 -23.56 43.33 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.202 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -45.75 160.36 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 8.4 mpt_? -89.88 2.89 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.862 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -179.1 141.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.853 0.359 . . . . 0.0 111.527 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.424 HG12 ' CE2' ' A' ' 71' ' ' PHE . 34.4 t -118.63 107.47 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.684 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -141.23 -175.73 4.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.049 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.08 145.21 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.568 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 87' ' ' ASP . . . -68.24 -39.31 82.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.963 0.411 . . . . 0.0 110.336 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -28.3 69.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.491 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -156.64 72.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.38 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -18.1 58.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.493 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.32 12.48 16.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.6 140.44 4.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 111.443 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.45 177.52 7.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 3.6 mp -97.4 -67.19 0.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.072 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.404 HG23 ' HG3' ' A' ' 40' ' ' GLN . 0.6 OUTLIER 173.11 160.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.375 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -47.44 -51.33 20.51 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.282 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.42 -34.51 78.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.405 ' HG3' ' HB3' ' A' ' 36' ' ' LEU . 7.0 mm-40 -67.61 -58.33 4.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.29 -35.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.82 92.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.72 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -57.16 -48.88 77.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -62.7 -33.57 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.169 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -66.04 -45.74 80.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.736 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -57.6 -35.19 70.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.3 mt -58.1 -60.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.632 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 mt -66.3 -38.49 87.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.328 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -58.93 -50.21 74.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.155 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.556 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -54.09 -27.6 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.764 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -32.5 68.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.053 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' HB2' ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -75.02 -23.48 58.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.196 0.522 . . . . 0.0 110.835 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -44.46 -62.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.261 -179.578 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.34 -23.04 24.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.946 -177.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -47.44 107.34 0.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.163 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -66.33 -50.25 64.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.986 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 99.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.56 72.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.63 89.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -42.02 48.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.0 p -58.64 -56.26 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.328 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -52.34 -33.84 44.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.272 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -62.77 -52.71 62.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -70.2 -45.51 66.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.449 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -54.22 -30.49 50.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.97 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.42 -34.98 35.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.024 0.44 . . . . 0.0 110.311 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -30.87 71.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.215 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 tt -76.86 -28.31 55.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.648 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.29 64.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -108.73 17.06 22.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.424 ' CE2' HG12 ' A' ' 26' ' ' VAL . 23.7 t80 -54.28 148.58 11.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 111.281 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.84 56.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.428 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.19 155.69 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.79 93.79 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -121.58 139.65 53.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.76 121.16 20.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.791 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.43 154.01 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.13 164.99 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.342 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.41 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -63.88 146.97 53.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.079 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.91 -31.15 6.79 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.401 ' HB3' ' HD3' ' A' ' 24' ' ' ARG . 10.7 m-20 -83.98 -157.88 0.29 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.92 157.74 35.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.121 0.486 . . . . 0.0 111.77 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.9 t -121.0 125.41 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.425 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.9 p -92.58 114.19 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.05 0.452 . . . . 0.0 111.209 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 5.6 t -93.5 115.89 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.016 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.6 pt -58.96 -18.7 13.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.895 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.482 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 18.4 t0 -97.61 -44.11 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.174 0.511 . . . . 0.0 109.632 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.526 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.69 -176.1 20.37 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.398 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mt -177.97 107.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.755 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -116.65 43.43 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.376 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 154.02 1.01 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.93 0.395 . . . . 0.0 111.463 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.42 ' HG2' HG21 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -59.28 123.05 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.403 179.4 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -136.9 125.78 24.16 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.482 ' HA ' ' CG1' ' A' ' 100' ' ' VAL . 85.8 t60 -59.84 152.33 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.29 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -129.26 -30.78 2.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.533 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.88 155.71 0.45 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.755 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 44.0 -87.52 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.54 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -147.21 22.57 1.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 179.411 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.5 mt -107.53 129.99 54.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.421 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 94' ' ' HIS . 27.7 m -114.34 177.95 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.373 0.606 . . . . 0.0 111.861 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 93' ' ' ALA . 18.4 mt -121.88 123.44 41.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.839 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.407 ' CG1' ' HD2' ' A' ' 103' ' ' PRO . 30.0 t -109.87 138.49 20.73 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.034 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.407 ' HD2' ' CG1' ' A' ' 102' ' ' VAL . 5.8 Cg_endo -47.87 123.45 8.51 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.697 2.265 . . . . 0.0 112.009 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' A' ' 116' ' ' ILE . 11.0 tp -121.01 -51.61 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 115' ' ' THR . 1.7 m -151.41 123.44 8.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.999 0.428 . . . . 0.0 111.775 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 95.1 m -119.18 105.52 11.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.689 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.421 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 4.9 ttmt -126.18 138.46 53.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.018 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.4 t -102.15 124.18 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.5 t -119.05 124.67 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.36 -65.82 0.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.556 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -176.83 40.28 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 m -144.66 150.06 36.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -92.62 110.03 21.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.81 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 21.7 m -110.46 108.57 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.397 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.526 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 98.4 m -110.59 144.43 39.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.478 ' N ' HG22 ' A' ' 115' ' ' THR . 1.0 OUTLIER -121.07 134.6 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.698 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 94.8 m -129.23 141.55 51.1 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -78.93 132.78 36.86 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.408 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.41 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 3.3 t -81.43 113.68 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.61 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.46 145.35 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.416 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -74.6 144.25 44.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.79 179.924 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.6 -51.24 69.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 68.9 m-85 -70.96 -26.8 63.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -72.86 -37.37 67.4 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.411 ' CE2' HG12 ' A' ' 20' ' ' VAL . 74.8 t80 -60.84 -36.58 79.5 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.822 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -66.0 -36.28 82.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.728 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -37.86 66.37 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.64 -48.12 17.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.372 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 17' ' ' LEU . 3.0 m -61.64 -33.57 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 CA-C-O 121.056 0.455 . . . . 0.0 110.525 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.4 mt -74.96 -25.0 58.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.516 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.4 -27.37 41.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.436 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -47.28 158.85 0.14 Allowed 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -35.52 8.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.021 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.36 140.35 49.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG13 ' CZ ' ' A' ' 71' ' ' PHE . 12.2 t -138.67 107.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.21 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.48 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 1.1 mmm180 -161.18 143.68 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 111.379 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.67 138.99 53.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.71 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.418 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -52.49 -24.85 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.4 mtt -51.6 -25.78 7.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.265 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.17 68.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.952 0.406 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mt -62.71 -17.76 61.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.583 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.46 12.54 5.43 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.95 153.2 10.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 111.717 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.48 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . . . -89.58 176.86 6.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.836 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HB2' ' CB ' ' A' ' 40' ' ' GLN . 1.8 mp -99.88 -67.59 0.85 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.834 0.349 . . . . 0.0 110.827 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.413 HG23 ' HB2' ' A' ' 40' ' ' GLN . 0.7 OUTLIER 170.86 153.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.705 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -44.69 -39.66 5.29 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.379 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -73.08 -34.31 66.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.798 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.482 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 1.3 mp0 -70.72 -54.27 12.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.183 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.18 -38.33 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.27 -37.02 85.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -57.05 -56.19 24.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.442 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.419 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 2.3 t80 -61.05 -35.15 76.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.045 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -68.13 -35.46 78.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.723 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.79 -36.91 84.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.7 mt -58.3 -57.39 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mt -63.74 -46.08 87.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.717 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -57.58 -32.49 67.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -68.83 -28.0 66.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.361 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -33.32 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.992 0.425 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -63.58 -56.38 16.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.734 -179.245 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.488 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.79 -20.63 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.78 -179.383 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.7 m -101.68 22.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 0.0 111.255 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 26.3 t0 -95.98 162.2 13.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.907 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -81.28 -31.38 33.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.05 97.58 10.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.73 86.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.22 -32.49 72.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.5 t -57.8 -49.73 75.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -53.33 -33.92 55.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.273 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -68.79 -41.94 78.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.049 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.427 ' O ' HD22 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -70.22 -44.82 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 2.4 mtt -53.79 -32.76 53.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.53 -30.64 57.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.012 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -37.99 83.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.981 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -75.23 -22.78 57.65 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.836 179.765 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.52 26.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.96 16.84 18.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.984 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' CZ ' HG13 ' A' ' 26' ' ' VAL . 23.3 t80 -60.81 140.85 57.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.24 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 53.72 64.16 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.381 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.9 m -107.19 155.75 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.09 95.8 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.794 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -151.43 156.47 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -90.06 132.2 35.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.425 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 16.5 t -81.56 160.06 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.06 163.62 32.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.55 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.496 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -61.74 146.16 50.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.143 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.45 -31.12 7.02 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.92 -158.1 0.22 Allowed 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.99 164.19 37.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 0.0 111.383 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.4 t -134.27 122.76 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.51 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 8.4 p -96.02 114.14 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 111.376 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 42.5 t -91.22 115.52 30.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.047 0.451 . . . . 0.0 110.383 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.8 mt -50.2 -18.38 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 2.0 t70 -103.84 -42.76 5.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.258 0.552 . . . . 0.0 109.522 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.541 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.01 -173.51 21.85 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.656 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -178.04 106.64 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.976 0.417 . . . . 0.0 111.256 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.425 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 91.0 m-20 -113.46 45.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.33 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -169.49 149.43 3.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.315 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.56 114.19 3.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.413 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -122.64 126.73 48.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.448 ' CE1' ' N ' ' A' ' 96' ' ' LYS . 8.6 t-80 -61.95 145.86 51.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.964 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.425 ' CE2' ' HB ' ' A' ' 77' ' ' VAL . 75.2 t80 -123.25 -26.64 4.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.466 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.448 ' N ' ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -179.37 142.62 0.18 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.649 0.261 . . . . 0.0 110.939 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 47.94 -90.67 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.5 m-20 -136.08 6.37 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.569 0.223 . . . . 0.0 111.167 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.5 mt -86.0 119.71 26.6 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 33.7 m -111.88 174.44 2.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.341 0.591 . . . . 0.0 111.822 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.3 mt -116.55 123.33 47.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.015 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 117' ' ' CYS . 21.9 t -106.77 136.39 19.43 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.169 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.425 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 5.2 Cg_endo -47.69 123.65 8.57 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.609 2.206 . . . . 0.0 111.632 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.411 ' HB3' ' CG2' ' A' ' 116' ' ' ILE . 11.0 tp -121.46 -51.72 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.847 -178.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.534 ' O ' ' HA ' ' A' ' 115' ' ' THR . 4.5 m -151.69 123.7 8.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.931 0.396 . . . . 0.0 111.915 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 49.5 m -114.74 111.92 22.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.828 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -134.71 149.67 50.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.4 t -111.9 134.3 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.2 t -134.27 122.89 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.77 -62.57 2.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 176.18 47.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.58 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -163.84 130.15 3.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 2.1 mtt180 -72.76 116.11 12.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 6.7 m -114.86 95.93 5.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.366 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.541 ' HB ' ' HA2' ' A' ' 88' ' ' GLY . 85.0 m -96.96 152.05 19.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.881 0.372 . . . . 0.0 110.697 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 104' ' ' LEU . 3.1 tt -122.88 141.68 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.875 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 102' ' ' VAL . 80.7 m -133.09 139.11 46.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.26 136.23 42.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.809 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.496 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 2.5 t -86.3 113.49 24.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.72 0.295 . . . . 0.0 110.283 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.71 145.41 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.993 0.425 . . . . 0.0 111.564 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 152.31 39.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.13 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.782 0.325 . . . . 0.0 110.746 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -64.77 -40.09 94.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.661 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -70.68 -30.06 66.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.394 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -73.31 -30.66 63.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.727 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 107' ' ' LYS . 1.3 t80 -63.21 -48.4 78.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.202 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -62.8 -33.65 75.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.454 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.46 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 13.4 m -57.4 -33.92 68.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.46 -25.8 57.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.293 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.5 t -68.33 -48.73 71.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.96 0.409 . . . . 0.0 110.214 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.86 -25.98 67.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.625 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.408 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 2.0 t0 -71.45 -28.49 64.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.165 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.2 m -51.25 171.56 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.766 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.7 ' HB2' ' HB ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -111.96 -39.55 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.425 -179.522 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.16 140.17 49.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.988 0.423 . . . . 0.0 111.283 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.67 107.32 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.724 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 10.0 mmt-85 -136.93 172.49 12.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.84 144.05 38.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.406 ' CB ' ' HB3' ' A' ' 87' ' ' ASP . . . -59.58 -39.13 83.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.717 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.9 ptp -58.46 -26.6 63.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.718 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -157.63 67.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.98 -24.77 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -95.12 12.52 28.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.592 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.53 118.76 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 111.491 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.29 177.57 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 5.0 mp -85.63 -67.04 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 111.006 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.25 154.98 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.684 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -42.26 51.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.719 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.05 -34.52 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.668 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.437 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -62.58 -56.84 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.92 -31.23 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.765 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.31 94.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.627 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.06 -53.89 52.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.276 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.42 ' CE2' HG23 ' A' ' 86' ' ' ILE . 21.9 t80 -58.35 -33.79 69.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.163 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.406 ' CG ' ' HB3' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -61.94 -35.18 77.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.382 179.461 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -76.48 -30.22 57.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.3 mt -56.06 -61.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' ' 48' ' ' LEU . 1.8 mt -68.54 -41.21 80.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.981 0.42 . . . . 0.0 110.415 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.404 ' HB2' ' HG ' ' A' ' 68' ' ' LEU . 1.3 t30 -58.29 -40.36 81.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.604 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -67.2 -27.45 67.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.093 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -33.29 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.036 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 1.0 OUTLIER -64.05 -56.48 14.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.99 -179.018 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -49.18 -25.18 2.06 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.205 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -104.34 22.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 111.42 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -85.73 154.25 21.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.587 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -68.75 -56.77 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.16 99.64 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.82 -26.04 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.31 -38.56 71.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.231 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -75.72 -36.87 59.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -55.54 -36.75 67.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -58.58 -36.78 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.174 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -48.9 31.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.197 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -36.77 74.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.814 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.449 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.18 -36.74 71.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 -179.653 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.92 -40.57 39.29 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -63.31 -27.41 69.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.725 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' HG ' ' HB2' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -73.32 -30.43 63.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.942 179.074 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.62 -20.43 55.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.515 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.03 16.9 17.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.59 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.406 ' HB3' ' CG ' ' A' ' 45' ' ' ARG . 26.4 t80 -57.27 137.32 56.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.306 . . . . 0.0 111.074 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.1 68.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.3 m -106.99 155.78 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -82.82 96.77 8.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 24' ' ' ARG . 17.2 pt20 -155.56 139.62 16.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.15 147.24 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.076 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.7 ' HB ' ' HB2' ' A' ' 24' ' ' ARG . 1.9 p -131.04 123.81 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -111.72 -158.41 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.695 -179.762 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.558 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -67.7 149.66 49.71 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.07 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.12 -31.5 7.3 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.245 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.427 ' HB2' HG23 ' A' ' 77' ' ' VAL . 58.6 m-20 -91.46 -169.68 2.38 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -140.01 156.68 46.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.073 0.463 . . . . 0.0 111.722 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.4 t -122.39 119.5 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.353 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 p -92.98 119.64 41.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 111.35 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 4.0 t -93.88 116.04 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.42 HG23 ' CE2' ' A' ' 44' ' ' TYR . 6.9 mt -56.52 -19.96 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.921 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.406 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 7.1 t0 -100.85 -43.43 6.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.429 . . . . 0.0 109.847 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.489 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.59 -173.29 22.13 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.4 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.417 ' CB ' HG22 ' A' ' 115' ' ' THR . 3.7 mt -177.88 122.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.15 41.78 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.02 158.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.36 131.87 52.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.582 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -146.07 129.01 16.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.966 0.412 . . . . 0.0 112.025 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -62.72 138.1 58.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.378 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.431 ' CE2' HG13 ' A' ' 77' ' ' VAL . 70.5 t80 -127.43 -2.6 6.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.245 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.422 ' HD3' ' CD2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -155.33 -167.61 2.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.643 0.258 . . . . 0.0 110.633 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -43.6 12.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.858 0.361 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -146.08 -15.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.921 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.59 129.21 37.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.669 0.271 . . . . 0.0 110.782 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.572 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 17.1 m -111.0 -176.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.213 0.53 . . . . 0.0 111.592 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 93' ' ' ALA . 93.2 mt -127.88 123.56 35.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.223 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.46 132.87 20.54 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.005 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.86 123.59 8.71 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.446 2.097 . . . . 0.0 111.676 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.478 ' HB3' HG21 ' A' ' 116' ' ' ILE . 11.0 tp -121.72 -51.77 2.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.663 -179.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 115' ' ' THR . 2.9 m -148.54 123.44 9.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.837 0.351 . . . . 0.0 111.603 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 92.8 m -118.6 120.97 39.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.991 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 17.3 mttm -156.1 122.15 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 112' ' ' SER . 2.3 p -81.8 135.81 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.734 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.4 t -126.98 114.69 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.96 -10.2 69.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.669 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.57 0.01 6.27 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.071 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.463 ' N ' ' CG2' ' A' ' 108' ' ' VAL . 19.1 m -125.85 130.71 51.9 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.099 0.476 . . . . 0.0 111.437 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -57.76 146.79 30.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.494 -179.771 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 6.0 t -140.77 93.62 2.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.445 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.489 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 92.4 m -96.94 141.11 30.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.192 0.52 . . . . 0.0 111.462 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.478 HG21 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -118.19 134.37 62.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.035 178.431 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 63.5 m -130.78 139.63 50.24 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.46 133.95 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.764 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.2 t -81.62 115.41 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.833 0.349 . . . . 0.0 110.625 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.53 148.25 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.235 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.48 147.26 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.868 -179.916 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.41 -52.18 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 51.4 m-85 -70.87 -26.52 63.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.768 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -32.62 70.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 68.1 t80 -64.98 -39.56 93.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.903 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -39.66 90.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.481 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -36.77 65.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.143 0.497 . . . . 0.0 109.892 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.13 -38.47 51.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.312 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.24 -59.32 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.105 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.0 mt -57.23 -22.58 42.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.941 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.95 -32.6 65.35 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.621 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.9 p -44.03 164.19 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.856 0.36 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -98.09 -26.66 14.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -152.8 143.44 22.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.661 ' HB ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -129.73 137.65 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.026 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -151.61 -175.66 5.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.758 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -104.6 131.22 52.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.015 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.452 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -58.34 -43.81 88.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.952 0.406 . . . . 0.0 110.357 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtt -53.24 -25.39 14.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.789 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -166.28 73.86 0.17 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.424 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.8 OUTLIER -67.88 -17.91 64.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.479 -179.542 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -86.55 12.45 10.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.602 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.43 132.55 0.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.817 0.341 . . . . 0.0 111.256 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.11 177.5 4.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.002 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 40' ' ' GLN . 2.7 mp -91.67 -67.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.379 . . . . 0.0 110.997 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 175.62 154.01 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -45.79 -36.6 5.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.333 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.98 -34.41 61.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.48 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.84 -59.06 3.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.996 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.2 t -56.17 -40.78 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -42.84 92.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -57.17 -44.16 83.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.379 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -70.59 -34.8 72.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.3 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -66.84 -35.28 79.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.725 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.9 -34.09 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.5 mt -61.45 -60.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.65 -49.53 74.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.656 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -54.67 -32.15 58.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -69.27 -28.31 66.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.282 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -68.73 -33.37 73.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 111.037 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -64.55 -56.45 13.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.727 -179.177 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.477 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -55.99 -33.56 64.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.739 0.304 . . . . 0.0 111.543 -179.268 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 50' ' ' ALA . 10.5 m -94.43 22.28 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.501 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 35.4 t0 -90.67 161.66 15.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.752 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -79.38 -31.56 42.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.85 100.0 12.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.19 86.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.76 92.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -71.39 -38.32 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.3 t -51.49 -54.5 26.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -33.86 26.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -70.43 -52.22 23.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -38.09 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.837 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.453 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.26 -32.16 64.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.43 -41.46 24.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 109.965 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -64.31 -27.32 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.837 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.93 -31.27 62.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.989 179.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.43 -25.84 38.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.343 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.98 17.15 24.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.422 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -65.23 129.39 39.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.246 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . . . 71.7 39.19 0.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.471 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.3 t -107.06 146.29 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.861 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -69.41 103.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -126.19 142.87 51.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -63.83 109.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.7 t -95.58 139.15 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -134.33 -160.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.426 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -82.81 148.54 27.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.247 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.65 -31.06 7.53 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.448 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -82.6 -166.96 1.43 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -146.79 155.3 42.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 111.415 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.0 t -112.44 116.23 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.96 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.661 ' CG1' ' HB ' ' A' ' 26' ' ' VAL . 8.5 p -92.27 111.06 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 110.997 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 4.8 t -88.25 136.57 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.057 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.426 ' CG1' ' HA ' ' A' ' 28' ' ' SER . 19.7 pt -73.01 -16.9 17.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.714 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -102.97 -44.59 5.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.973 0.416 . . . . 0.0 110.013 179.204 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.488 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.72 -173.15 21.94 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.237 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.454 ' HB3' HG23 ' A' ' 115' ' ' THR . 12.0 tp -177.99 106.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.953 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.69 44.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.69 156.65 0.89 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 30.6 ttm -57.87 142.82 44.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -155.91 122.6 5.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.496 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -63.6 152.42 38.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.991 0.424 . . . . 0.0 110.798 179.671 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -115.61 -34.74 4.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.584 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' ASP . 2.6 pttp 178.85 143.99 0.13 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.708 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 52.93 -85.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.09 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -138.95 1.69 2.08 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.0 mt -74.51 119.43 18.69 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -114.23 137.76 46.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.192 0.52 . . . . 0.0 111.496 -179.227 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.8 mt -98.16 123.91 42.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.5 t -110.53 137.11 20.62 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -48.11 123.73 9.22 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.669 2.246 . . . . 0.0 111.96 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.7 tp -120.9 -44.32 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.568 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 115' ' ' THR . 54.2 m -160.72 133.4 6.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 111.763 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 95.3 m -124.57 121.29 34.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.779 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 43.2 mttt -140.34 131.02 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.9 t -93.65 140.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.53 114.74 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.36 36.03 69.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.9 28.35 64.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -140.03 118.73 12.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -65.2 147.38 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.1 t -140.53 97.65 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.488 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 89.9 m -104.87 140.74 37.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.3 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.418 ' N ' HG22 ' A' ' 115' ' ' THR . 0.0 OUTLIER -122.17 142.06 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.797 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 83.6 m -132.42 138.36 47.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.177 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -69.22 141.32 54.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.873 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.4 t -89.49 102.83 13.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.104 0.478 . . . . 0.0 110.775 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -122.1 138.44 52.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.693 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.26 135.94 42.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.965 0.412 . . . . 0.0 111.181 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.849 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.412 ' HA ' ' CG ' ' A' ' 15' ' ' GLN . 31.9 p-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.752 0.31 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.32 -45.72 90.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.101 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 2.0 m-85 -64.83 -26.79 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' CG ' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -81.03 -37.15 29.59 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.395 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' HD3' ' A' ' 107' ' ' LYS . 21.9 t80 -62.23 -54.14 45.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.047 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.7 OUTLIER -60.02 -36.41 77.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.142 0.496 . . . . 0.0 110.007 179.42 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.475 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 39.9 t -63.68 -30.75 71.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.42 -26.47 51.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.759 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 17' ' ' LEU . 6.1 m -69.7 -30.05 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.146 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.467 ' N ' HG21 ' A' ' 20' ' ' VAL . 10.3 mt -70.04 -23.47 63.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -36.32 72.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.287 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.5 m -46.66 169.52 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.004 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.53 -45.24 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.559 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.17 140.22 49.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 111.282 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.412 HG12 ' CE1' ' A' ' 71' ' ' PHE . 21.9 t -118.56 107.22 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.952 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.401 ' NE ' ' HA ' ' A' ' 27' ' ' ARG . 1.2 mmp_? -141.52 -178.75 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -123.46 153.38 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.29 95.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.1 mmt -56.35 -27.0 54.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.96 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -155.93 71.01 0.72 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.9 -18.36 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.321 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.66 12.65 19.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.39 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.27 115.67 5.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 111.357 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.87 177.54 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 40' ' ' GLN . 4.1 mp -94.17 -67.0 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 172.33 160.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -46.46 -50.12 17.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.362 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -34.42 78.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 6.5 mm-40 -67.85 -55.52 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 ' CG1' ' CB ' ' A' ' 72' ' ' ALA . 44.6 t -58.96 -43.46 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.98 92.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.7 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 47' ' ' ILE . 13.4 mm-40 -57.15 -51.84 67.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.152 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.414 ' CE2' HG21 ' A' ' 86' ' ' ILE . 8.9 t80 -61.28 -36.0 78.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.318 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -64.43 -33.71 76.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.801 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -73.1 -25.76 60.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 43' ' ' GLN . 32.5 mt -64.01 -60.9 2.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.1 -47.36 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.495 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -57.96 -30.79 66.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.645 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -69.25 -28.0 65.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.292 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.8 t -70.74 -33.33 70.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -63.72 -56.47 15.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.695 -179.286 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.488 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -53.0 -21.81 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.816 -179.277 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.5 m -101.64 22.21 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.649 0.261 . . . . 0.0 111.208 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -91.34 166.55 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -29.42 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.04 99.23 10.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.03 -46.52 88.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.13 93.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -67.37 -40.44 85.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.9 p -60.41 -56.63 19.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.98 -33.9 26.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.318 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -61.51 -45.25 95.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.652 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -36.2 74.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.479 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.425 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 2.6 mtt -54.81 -37.22 65.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.115 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.97 57.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.301 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -71.01 -30.97 67.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.285 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.53 -23.85 53.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.868 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.34 25.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.915 0.388 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.19 17.03 22.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CE1' HG12 ' A' ' 26' ' ' VAL . 24.1 t80 -70.82 132.88 45.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.868 0.366 . . . . 0.0 111.18 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . 59.29 55.66 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.526 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.0 t -107.21 153.66 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -69.35 108.49 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -169.49 144.68 3.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.68 141.65 30.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.442 ' CG2' ' CE2' ' A' ' 95' ' ' PHE . 24.7 t -81.44 154.51 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.545 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.57 165.4 26.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.471 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.55 144.11 56.46 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.166 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.39 -31.16 7.34 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.96 -160.42 0.32 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.84 155.12 42.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.006 0.431 . . . . 0.0 111.595 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.2 t -118.23 118.95 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.257 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.6 p -92.65 122.98 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 0.0 111.538 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.2 t -101.54 116.22 44.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.271 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.414 HG21 ' CE2' ' A' ' 44' ' ' TYR . 7.1 mt -57.61 -17.96 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.626 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -101.02 -44.21 5.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.127 0.489 . . . . 0.0 109.946 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.481 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.81 -163.33 25.01 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.138 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.9 tp -177.92 106.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.958 0.408 . . . . 0.0 110.976 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.15 35.7 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.62 173.09 2.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 24.2 ttp -84.68 130.91 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -137.74 145.63 42.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -75.35 152.38 38.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.897 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.442 ' CE2' ' CG2' ' A' ' 77' ' ' VAL . 69.9 t80 -126.72 -17.96 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.791 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -151.63 -167.61 2.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.046 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 -41.82 6.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.059 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -145.96 -6.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.54 119.74 19.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.787 0.327 . . . . 0.0 110.313 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -110.18 155.35 11.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.459 ' HB3' ' HB2' ' A' ' 117' ' ' CYS . 5.5 mt -116.04 124.03 49.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.905 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 36.2 t -109.54 137.6 20.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.89 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -47.77 123.69 8.74 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.708 2.272 . . . . 0.0 112.12 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.7 tp -121.18 -45.16 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 115' ' ' THR . 54.7 m -160.88 128.91 4.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.027 0.442 . . . . 0.0 111.721 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 98.2 m -122.52 118.42 28.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.771 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.436 ' HD3' ' CD1' ' A' ' 16' ' ' PHE . 0.9 OUTLIER -139.71 138.44 35.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.928 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.21 136.93 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.232 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.17 114.98 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.035 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.5 49.7 48.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 60.42 28.5 67.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.404 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m -142.41 125.41 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.337 . . . . 0.0 111.022 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 148.27 48.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 17.5 t -140.65 101.43 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.481 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 86.9 m -108.13 141.24 40.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.418 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -122.32 141.97 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 82.2 m -133.6 136.65 45.01 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.985 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.15 143.85 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.995 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.468 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 10.5 t -91.38 104.3 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.963 0.411 . . . . 0.0 110.72 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.88 139.68 51.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.906 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.44 124.3 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.845 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 41.28 -89.11 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.654 0.382 . . . . 0.0 111.777 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 1' ' ' GLY . 39.3 p -82.02 -43.67 17.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.01 -25.86 23.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.795 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.5 m -98.43 -48.0 5.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.502 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 mt 63.71 -83.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.11 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -126.83 -29.81 2.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.776 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.8 79.01 7.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.874 0.368 . . . . 0.0 110.808 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 6.5 mt -73.51 152.64 40.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.6 p -94.22 178.59 5.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -66.01 -45.58 81.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.63 -48.66 53.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.429 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 26.9 m-85 -58.7 -26.39 63.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -32.09 73.49 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 64.1 t80 -71.45 -36.86 71.38 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.993 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -42.44 79.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.453 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -54.72 -33.52 61.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.217 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -38.77 52.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.37 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.406 ' CG1' ' CG2' ' A' ' 84' ' ' VAL . 91.8 t -61.16 -54.46 34.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.116 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.9 mt -60.18 -27.3 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.991 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -28.31 61.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.512 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 93.7 m -49.48 156.49 0.62 Allowed 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.09 -28.47 15.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.03 140.25 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.03 0.443 . . . . 0.0 111.422 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 15.3 t -139.54 107.45 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.453 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -148.5 -175.52 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 -179.368 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 t -110.53 139.77 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.433 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -59.89 -46.26 89.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.494 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -26.07 16.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.682 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -161.73 78.22 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.352 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.43 -34.63 67.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.473 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -81.1 -12.95 59.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.685 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.0 127.7 30.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 111.469 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.96 177.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.753 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 mp -95.46 -66.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -175.85 163.61 2.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.616 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -56.75 -43.39 80.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.637 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -34.53 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.623 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -61.2 -57.36 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.1 t -55.85 -43.51 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.53 78.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.758 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -58.13 -55.08 39.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.529 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -60.91 -33.66 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.354 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -37.54 87.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.599 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.6 -30.79 69.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.8 mt -58.48 -60.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mt -68.06 -43.95 77.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.519 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -54.42 -34.41 61.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -73.21 -27.94 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -33.36 74.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.12 0.486 . . . . 0.0 110.411 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.465 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.5 OUTLIER -62.69 -56.51 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.62 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -53.82 -59.74 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.218 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -53.51 -23.62 7.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.622 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -48.02 164.94 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.823 0.344 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -87.64 -33.36 18.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -91.1 98.42 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.76 -30.11 70.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.12 -47.15 63.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -65.14 -40.98 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 p -54.01 -35.91 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -43.18 95.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -60.22 -54.73 42.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -33.74 71.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.465 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -54.04 -36.64 63.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.37 -32.65 37.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.509 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.86 -30.72 70.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.276 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.7 tt -76.69 -29.56 56.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.615 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.38 -24.17 28.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.072 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.2 16.99 25.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.419 ' CZ ' HG12 ' A' ' 26' ' ' VAL . 46.7 t80 -51.35 127.54 20.01 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.879 0.371 . . . . 0.0 111.18 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.8 44.82 6.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.5 p -92.91 152.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.27 112.24 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -150.58 155.9 40.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -84.94 123.41 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.0 t -81.54 159.27 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.34 162.81 40.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.294 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.75 147.94 52.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.966 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.69 -31.03 7.18 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.195 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.07 -158.14 0.09 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.43 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 3.8 mpt_? -155.66 149.8 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.073 0.463 . . . . 0.0 111.568 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.03 117.77 55.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.931 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.406 ' CG2' ' CG1' ' A' ' 20' ' ' VAL . 14.1 p -92.51 118.05 37.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.442 . . . . 0.0 111.208 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 5.7 t -98.04 130.26 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.982 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.9 pt -68.58 -15.18 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.82 -44.67 4.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.296 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.483 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.8 -171.49 22.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.439 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.436 ' O ' HG21 ' A' ' 115' ' ' THR . 14.5 tp -177.94 106.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.606 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.89 -23.85 17.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.415 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.96 156.94 25.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 0.0 111.16 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.2 ttm -66.49 142.99 57.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.626 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -148.81 142.02 25.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.593 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.434 ' CE1' ' CA ' ' A' ' 96' ' ' LYS . 47.3 t-80 -69.06 152.73 44.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.979 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -120.03 -36.62 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.724 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.89 160.63 0.66 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.439 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.4 t70 44.41 -86.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 96' ' ' LYS . 70.1 m-20 -149.09 18.23 0.97 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.612 0.244 . . . . 0.0 111.092 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.1 mt -92.09 127.07 37.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.363 . . . . 0.0 110.464 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -110.24 142.83 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.315 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.6 124.19 45.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.676 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.9 t -111.18 137.14 20.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.24 124.31 10.24 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.781 2.32 . . . . 0.0 111.965 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.459 ' HB3' HG22 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -118.21 -51.61 2.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.641 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.5 m -153.82 128.56 9.41 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.067 0.46 . . . . 0.0 112.111 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 86.5 m -117.64 122.7 44.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.777 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 30.9 mttp -136.74 138.68 41.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.41 118.02 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.046 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.29 128.07 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.17 28.74 64.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.27 32.62 42.65 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -137.79 120.48 16.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 139.8 58.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 34.4 t -140.52 98.74 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.483 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 90.8 m -102.03 143.35 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.157 0.503 . . . . 0.0 111.272 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.459 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -121.26 139.27 48.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.105 178.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 61.0 m -131.98 140.89 49.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.113 0.482 . . . . 0.0 112.282 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.43 ' HA ' ' HG3' ' A' ' 82' ' ' ARG . 10.0 t0 -75.31 138.31 41.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.895 178.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.1 t -87.74 102.91 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 110.559 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.02 141.15 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.152 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -74.61 126.54 31.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.072 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.39 106.84 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 175.82 -169.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -53.54 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.432 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.16 -30.88 64.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.135 0.493 . . . . 0.0 110.18 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.2 m -70.34 -53.39 16.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.152 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 51.38 86.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.53 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 50.99 36.71 15.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.802 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 69.37 108.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.5 mt -57.79 147.49 28.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.033 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.8 p -81.07 175.2 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.57 -28.83 67.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -45.55 88.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -52.07 60.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.405 ' CE2' ' OD2' ' A' ' 55' ' ' ASP . 28.7 m-85 -63.06 -26.63 68.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.26 -34.82 71.07 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 30.1 t80 -61.69 -36.79 81.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.938 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' O ' HG21 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -69.96 -33.48 72.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.378 179.459 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.79 -34.21 62.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.54 -48.08 17.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.998 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 17' ' ' LEU . 2.4 m -61.11 -45.76 97.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 CA-C-O 120.932 0.396 . . . . 0.0 110.468 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.427 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 86.7 mt -66.33 -21.95 66.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.664 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.77 -36.69 50.29 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.474 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -44.29 153.58 0.14 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.4 -47.78 9.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.37 140.77 48.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 111.365 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 t -122.52 107.28 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.405 ' CZ ' ' CB ' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -129.83 -175.66 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.58 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.8 t -109.7 147.06 33.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.476 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -70.99 -48.45 53.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -25.46 22.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.659 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.71 73.92 0.92 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.561 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mt -74.36 -18.07 60.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.384 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -81.99 0.94 37.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.56 155.8 6.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.998 0.428 . . . . 0.0 111.551 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' CB ' ' CZ ' ' A' ' 27' ' ' ARG . . . -79.24 177.53 8.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.893 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HB3' ' HG2' ' A' ' 40' ' ' GLN . 5.0 mp -96.54 -66.91 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.87 150.57 2.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.586 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 p -49.75 -45.27 49.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.973 0.416 . . . . 0.0 110.5 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -75.1 -34.43 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.543 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 1.6 tp-100 -57.74 -58.86 6.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.961 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.66 -32.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.945 0.402 . . . . 0.0 110.7 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.98 89.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -57.05 -56.38 22.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.492 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -64.92 -33.72 76.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.241 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -63.1 -34.08 76.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.747 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -38.61 65.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.061 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.5 mt -52.27 -61.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mt -59.05 -49.74 76.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 110.406 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.418 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 4.3 t30 -54.68 -29.9 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.705 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -68.96 -28.22 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.18 -33.13 71.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.2 OUTLIER -66.63 -56.41 10.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.881 -179.133 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.46 -21.25 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.041 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 50' ' ' ALA . 2.7 m -94.98 22.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.696 0.284 . . . . 0.0 111.449 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD2' ' CE2' ' A' ' 14' ' ' PHE . 5.9 t0 -103.41 153.83 20.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.674 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -77.86 -35.54 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.042 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -81.14 99.11 8.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.23 86.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.27 78.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -65.22 -34.55 78.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -60.16 -49.28 78.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -51.78 -36.38 47.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -63.8 -48.89 75.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -70.21 -43.71 70.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.613 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.454 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -56.16 -37.85 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.37 -31.58 42.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -33.21 71.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.372 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 71' ' ' PHE . 2.3 tt -76.65 -24.97 53.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.755 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.55 -20.74 22.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.404 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.21 16.87 23.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.69 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 68' ' ' LEU . 1.9 t80 -59.0 135.38 57.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.16 31.67 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.239 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.85 151.73 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.42 94.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -140.88 158.47 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.88 126.24 43.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.406 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 10.6 t -81.53 160.86 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.575 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.17 164.07 36.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.409 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -61.31 145.73 50.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.04 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.64 -31.13 7.08 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -83.36 -158.13 0.28 Allowed 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.27 166.3 29.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.07 0.462 . . . . 0.0 111.588 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.3 t -132.29 121.84 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.217 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.7 p -92.85 131.43 39.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.061 0.457 . . . . 0.0 111.464 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 3.3 t -108.47 121.84 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.649 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 pt -60.0 -19.34 17.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 0.4 OUTLIER -102.04 -44.77 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.42 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.494 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.71 -170.36 23.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.629 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tp -178.22 159.18 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.742 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -161.52 43.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -177.55 158.57 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -63.77 117.4 6.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.259 179.503 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -127.12 125.29 40.96 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.436 ' HA ' ' CG1' ' A' ' 100' ' ' VAL . 31.3 t-80 -55.76 149.42 14.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.968 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD2' ' HG2' ' A' ' 96' ' ' LYS . 80.6 t80 -127.37 -30.24 2.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.407 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.45 148.13 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.732 0.301 . . . . 0.0 111.086 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.8 t70 46.67 -89.82 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.222 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' LYS . 57.3 m-20 -141.03 15.31 2.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.674 0.273 . . . . 0.0 111.146 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.8 mt -98.69 124.59 43.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.168 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 94' ' ' HIS . 36.0 m -110.06 178.47 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.389 0.614 . . . . 0.0 112.05 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 93' ' ' ALA . 18.3 mt -121.17 123.6 42.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.254 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.401 ' N ' ' HB3' ' A' ' 117' ' ' CYS . 21.0 t -105.05 136.9 19.11 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.071 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.84 123.33 8.31 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.497 2.131 . . . . 0.0 111.422 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 tp -118.91 -51.33 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.698 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 115' ' ' THR . 24.2 m -159.31 124.11 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.966 0.412 . . . . 0.0 111.624 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 62.6 m -118.28 112.63 20.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.796 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 6.4 mttt -134.81 148.98 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 t -107.5 129.25 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.02 115.86 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 79.2 2.2 86.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.95 27.32 5.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.526 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.54 119.74 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -59.28 141.01 55.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 37.8 t -140.64 104.19 4.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.494 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 96.4 m -109.16 141.47 41.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.923 0.392 . . . . 0.0 111.215 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.19 142.29 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 75.6 m -134.94 138.73 44.34 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.9 139.03 50.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.773 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.415 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 2.7 t -87.82 114.37 26.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.794 0.33 . . . . 0.0 110.351 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.13 150.09 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.478 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -74.44 146.46 42.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.063 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.49 127.57 32.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.038 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.875 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -163.33 121.5 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.044 0.45 . . . . 0.0 111.036 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 61.72 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.191 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -50.99 -32.26 20.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.86 0.362 . . . . 0.0 111.236 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.6 m -81.02 -28.6 35.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mt 60.86 171.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.22 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.67 118.22 6.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.9 mt -74.0 158.65 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.6 p -77.31 175.68 9.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -62.32 -32.66 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -32.05 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -52.07 45.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' A' ' 52' ' ' LEU . 82.8 m-85 -70.18 -26.8 64.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -73.31 -34.22 65.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.19 0.519 . . . . 0.0 109.78 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CG ' ' HD2' ' A' ' 107' ' ' LYS . 70.4 t80 -61.75 -36.69 81.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.133 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -68.28 -33.6 74.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.619 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -35.92 68.21 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.64 -47.06 20.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.216 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 17' ' ' LEU . 3.9 m -63.83 -33.31 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 CA-C-O 120.98 0.419 . . . . 0.0 110.496 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.0 mt -79.68 -13.76 59.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.816 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.42 -24.12 18.16 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.043 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.2 p -47.54 170.98 0.01 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.775 0.321 . . . . 0.0 111.105 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.66 -29.14 9.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.228 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.77 143.95 50.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 111.542 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.429 HG13 ' CE2' ' A' ' 71' ' ' PHE . 21.9 t -132.78 112.71 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.497 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.489 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -158.12 137.41 11.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.389 -179.448 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 p -69.62 143.13 53.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.19 85.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mmt -51.92 -29.39 19.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.964 0.411 . . . . 0.0 111.012 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -152.94 66.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' HA ' ' HB3' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -64.1 -18.01 63.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.47 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.21 12.6 36.65 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.56 141.94 7.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.924 0.392 . . . . 0.0 111.587 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.17 177.44 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.859 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -90.85 -66.93 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -171.73 167.27 6.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.693 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 m -57.1 -53.04 62.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.408 ' CE2' ' OE1' ' A' ' 40' ' ' GLN . 51.9 p90 -74.9 -34.28 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.408 ' OE1' ' CE2' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -55.28 -52.86 62.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.019 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -55.87 -42.33 70.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.816 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.31 83.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.09 -47.48 80.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.418 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -67.83 -40.57 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.106 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.2 mtm105 -63.1 -32.04 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.474 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -68.16 -33.38 74.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.55 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 54.9 mt -58.51 -60.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.533 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.13 -44.37 92.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.386 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.469 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.8 t30 -52.45 -31.33 34.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.66 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.456 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -75.61 -27.96 58.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.525 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -73.37 -35.33 65.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.561 ' HA ' ' CE1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -74.5 -53.24 9.86 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 1.6 pt20 -46.41 -25.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -91.25 22.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.434 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 8.6 t70 -80.12 168.01 19.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.827 0.346 . . . . 0.0 110.702 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -69.74 -34.31 73.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -107.14 110.36 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.1 77.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.59 91.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -32.33 70.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.2 m -62.19 -38.33 88.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -38.91 84.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 -60.28 -40.08 89.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.14 -36.8 75.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.407 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -59.4 -35.17 73.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.35 -33.37 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.331 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.93 -30.76 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.261 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -28.32 56.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.516 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.39 -25.09 33.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.036 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.84 16.84 25.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.249 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CE2' HG13 ' A' ' 26' ' ' VAL . 15.5 t80 -60.86 130.6 47.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.72 66.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.055 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.9 m -103.83 155.74 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -76.84 89.88 3.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -142.28 160.02 41.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -89.57 124.81 34.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.414 HG23 ' CZ ' ' A' ' 95' ' ' PHE . 23.9 t -81.56 141.65 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.78 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.405 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -121.72 161.41 22.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.349 -179.229 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.17 149.8 40.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.135 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.21 -31.15 6.17 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.02 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -75.1 -158.13 0.07 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -150.2 157.67 43.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.102 0.477 . . . . 0.0 111.4 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -126.99 119.73 53.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.334 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.0 p -92.72 118.74 39.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.234 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.6 t -94.75 133.21 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.403 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mt -67.89 -17.97 23.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.714 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 9.2 t0 -104.61 -43.91 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.85 0.357 . . . . 0.0 110.139 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.529 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.33 -172.88 22.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.669 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.415 ' HB3' HG22 ' A' ' 115' ' ' THR . 14.6 tp -177.88 136.78 0.18 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.724 0.297 . . . . 0.0 110.487 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -140.46 48.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.717 0.294 . . . . 0.0 111.334 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.99 160.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.033 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.422 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 3.4 ttt -67.58 123.74 21.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.315 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -134.1 126.23 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.47 ' HA ' ' CG1' ' A' ' 100' ' ' VAL . 16.1 t-80 -60.11 145.28 47.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.414 ' CZ ' HG23 ' A' ' 77' ' ' VAL . 84.0 t80 -123.56 -27.45 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.398 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.61 144.42 0.17 Allowed 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.672 0.273 . . . . 0.0 111.169 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.56 -89.77 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.7 OUTLIER -139.66 11.34 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.641 0.258 . . . . 0.0 111.406 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.0 mt -93.9 121.76 35.69 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.781 0.324 . . . . 0.0 110.197 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 94' ' ' HIS . 28.8 m -110.11 175.23 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.288 0.566 . . . . 0.0 111.597 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 92' ' ' MET . 16.1 mt -118.2 123.33 45.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.127 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.9 t -106.41 135.22 19.52 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.65 123.51 8.34 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.5 2.133 . . . . 0.0 111.468 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.426 ' HB3' ' CG2' ' A' ' 116' ' ' ILE . 3.0 tp -117.67 -51.75 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.987 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.1 m -156.04 128.53 7.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.936 0.398 . . . . 0.0 112.062 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 89.9 m -117.85 104.94 11.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.5 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.423 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 9.8 ttmt -121.71 125.93 47.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.31 137.3 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 14.9 m -136.4 117.49 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.231 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.3 44.39 95.1 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.98 26.81 74.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.558 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.09 140.63 45.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.316 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 11.7 mtm-85 -81.58 140.17 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 17.7 t -140.62 93.94 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.767 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.529 ' HB ' ' HA2' ' A' ' 88' ' ' GLY . 89.2 m -99.67 144.8 28.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.085 0.469 . . . . 0.0 111.344 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.486 ' N ' HG21 ' A' ' 115' ' ' THR . 3.3 tt -122.65 137.23 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.38 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 66.2 m -128.33 142.22 51.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.21 141.65 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.816 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 4.1 t -93.39 110.7 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.797 0.332 . . . . 0.0 110.376 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.14 151.2 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.475 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -74.56 150.66 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.976 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -70.1 104.42 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.961 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.83 172.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.48 -36.57 45.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.79 -27.1 11.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.6 t -57.73 -23.04 49.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.4 mt 61.79 31.61 18.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 60.12 60.32 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.45 110.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.2 mt -57.32 138.84 54.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.045 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.9 p -80.14 175.26 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -30.06 69.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.84 -31.31 66.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.93 -52.16 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.501 ' HE2' ' HA ' ' A' ' 52' ' ' LEU . 94.5 m-85 -72.77 -28.32 62.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.985 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -36.63 62.02 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -63.12 -36.55 83.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.092 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.61 ' O ' HG11 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -63.59 -37.93 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.62 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -33.48 67.93 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -49.24 14.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.496 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.61 HG11 ' O ' ' A' ' 17' ' ' LEU . 6.9 p -54.38 -30.48 21.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-O 120.822 0.344 . . . . 0.0 111.249 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.2 mt -85.46 -35.8 21.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.688 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -21.1 62.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 33.7 m -55.2 162.25 1.49 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.42 -31.92 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.28 145.07 50.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.943 0.401 . . . . 0.0 111.455 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.42 HG13 ' CE2' ' A' ' 71' ' ' PHE . 22.5 t -132.4 107.4 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.729 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.04 -175.55 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -111.63 145.18 39.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -65.35 -41.77 93.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.591 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.52 -27.03 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.67 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -153.63 69.79 0.82 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.65 -18.07 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -76.39 -27.65 56.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.504 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -142.56 144.19 32.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 111.61 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.59 177.53 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 4.7 mp -86.28 -66.79 0.86 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 176.28 165.85 0.43 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.726 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.6 t -55.35 -45.66 76.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.638 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -34.56 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.635 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 5.0 mm-40 -61.08 -46.0 92.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.7 t -71.75 -38.29 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.96 95.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.068 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -57.13 -39.39 75.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.593 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -74.99 -38.22 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.48 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -59.52 -46.79 87.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.791 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.14 -32.81 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.399 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 54.1 mt -58.22 -61.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.194 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.83 -38.32 79.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.399 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.472 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 10.0 t30 -57.33 -33.19 67.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.149 0.5 . . . . 0.0 109.858 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -71.12 -27.25 63.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.103 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -40.99 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.61 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.501 ' HA ' ' HE2' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -76.24 -23.9 54.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.223 0.535 . . . . 0.0 110.978 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.601 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -49.71 -45.02 48.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.999 -179.754 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.26 22.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.136 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -73.81 139.84 45.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.766 0.317 . . . . 0.0 110.799 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -63.63 -31.08 72.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.97 101.1 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.32 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.42 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -33.99 73.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 t -58.86 -49.53 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -35.92 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.93 94.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.685 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.13 -34.25 72.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.499 ' CE ' ' HG3' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -65.44 -31.71 72.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.71 -39.46 27.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.482 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -74.47 -37.94 63.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.319 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 tt -76.89 -20.4 56.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.784 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.27 -27.53 47.21 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.7 t0 -109.69 -34.62 6.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.801 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.42 ' CE2' HG13 ' A' ' 26' ' ' VAL . 5.0 t80 48.05 -85.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.752 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' ASP . . . -88.34 89.19 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 111.024 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 70' ' ' ASP . 3.2 t -103.19 140.23 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.7 89.88 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.742 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -134.22 139.82 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.71 122.71 17.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.771 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.409 HG23 ' CZ ' ' A' ' 95' ' ' PHE . 5.8 t -81.5 155.46 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.16 163.03 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.525 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.7 149.78 48.46 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.14 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -31.15 6.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.114 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.71 -159.97 0.32 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -148.65 156.43 42.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.11 0.481 . . . . 0.0 111.586 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.406 ' HB ' ' CD1' ' A' ' 101' ' ' LEU . 61.4 t -121.33 127.51 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.174 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.4 p -92.83 133.99 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.439 . . . . 0.0 111.601 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 4.1 t -116.14 111.87 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.747 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 37.2 pt -53.93 -22.03 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.163 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.455 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 11.4 t0 -95.42 -44.19 7.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.068 0.461 . . . . 0.0 109.899 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.52 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.85 -173.52 21.8 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.335 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mt -177.92 119.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.715 0.293 . . . . 0.0 110.573 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -126.11 40.88 3.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.344 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.18 154.71 1.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.43 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 2.2 ttt -57.4 126.58 27.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.68 126.48 22.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.442 ' HA ' ' CG1' ' A' ' 100' ' ' VAL . 29.2 t-80 -55.27 149.02 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.409 ' CZ ' HG23 ' A' ' 77' ' ' VAL . 91.4 t80 -129.2 -28.0 2.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.441 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' ASP . 16.9 ttpt 179.69 143.74 0.16 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.698 0.285 . . . . 0.0 111.167 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.58 -89.43 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.0 m-20 -140.01 15.14 2.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.683 0.277 . . . . 0.0 111.143 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.0 mt -97.78 125.0 42.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.18 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 94' ' ' HIS . 30.7 m -109.95 177.92 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.388 0.613 . . . . 0.0 111.757 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 93' ' ' ALA . 17.0 mt -122.25 123.39 41.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.235 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.9 t -105.66 135.31 19.4 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.67 123.37 8.17 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.477 2.118 . . . . 0.0 111.604 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.458 ' HB3' HG21 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -119.81 -51.65 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.641 -179.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.4 m -154.61 123.74 6.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.113 0.482 . . . . 0.0 111.93 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 21.0 m -116.4 111.03 19.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.764 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -131.71 119.94 22.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.57 120.16 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.068 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 m -116.09 121.6 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.33 -65.79 0.99 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.53 35.15 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.434 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.41 125.38 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 9.0 mtm180 -64.92 112.43 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.73 94.63 5.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.52 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 99.3 m -96.86 142.56 28.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 110.841 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.459 ' N ' HG22 ' A' ' 115' ' ' THR . 0.1 OUTLIER -117.76 140.21 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.536 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 70.2 m -135.66 138.98 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -72.43 138.36 47.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.034 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.2 t -87.94 112.63 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.402 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.86 147.24 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 111.487 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.56 151.73 39.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.169 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.4 146.12 27.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.879 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.9 177.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -45.47 -39.22 6.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.539 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.78 -21.95 21.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.813 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 1.9 t -67.27 -46.7 72.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.32 . . . . 0.0 110.814 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 5' ' ' THR . 1.2 mp 60.42 153.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.211 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 59.04 20.19 8.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.671 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 173.02 160.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.868 0.365 . . . . 0.0 111.355 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.8 mt -134.53 133.77 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.788 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.1 p -69.8 173.95 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.03 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -31.11 69.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.53 -31.35 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.47 -52.13 49.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -59.47 -26.95 65.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.731 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -73.43 -33.37 64.91 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.418 ' CG ' ' HD2' ' A' ' 107' ' ' LYS . 78.0 t80 -63.31 -36.8 84.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.088 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -62.49 -40.34 96.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.221 179.529 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.4 m -54.89 -33.76 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.6 -46.38 22.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.166 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 17' ' ' LEU . 2.6 m -58.97 -46.11 91.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 120.838 0.351 . . . . 0.0 110.715 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 57.6 mt -66.81 -18.61 65.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.879 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -83.25 -28.62 29.05 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.736 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 78.0 m -46.22 170.12 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.854 0.359 . . . . 0.0 111.305 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -101.15 -52.21 3.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.233 -179.653 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.28 140.24 49.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 111.302 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -117.42 107.4 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.906 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.47 174.75 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 32' ' ' LEU . 4.7 t -113.19 150.07 32.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -65.11 -48.11 74.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.638 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.65 -27.12 25.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.793 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -158.85 75.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.586 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -76.02 -17.94 59.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.517 -179.552 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.01 12.43 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.52 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.19 140.34 0.22 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.799 0.333 . . . . 0.0 111.197 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.39 177.54 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mp -90.84 -66.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.942 0.401 . . . . 0.0 111.007 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -171.9 160.21 5.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.717 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -45.86 78.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.442 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.08 -34.42 61.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.554 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -57.23 13.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.013 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.2 t -55.86 -34.99 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.14 89.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 47' ' ' ILE . 90.7 mt-30 -57.07 -45.22 83.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.386 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -68.72 -38.54 80.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.443 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -62.25 -32.53 73.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -27.13 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 43' ' ' GLN . 9.8 mt -62.69 -61.05 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.23 -35.91 80.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.681 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.19 -35.69 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.651 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -69.91 -27.92 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.029 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -33.17 73.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.046 0.45 . . . . 0.0 110.721 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 1.0 OUTLIER -61.9 -56.69 16.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.823 -179.299 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -50.06 -25.32 3.32 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.23 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 50' ' ' ALA . 1.3 m -104.11 22.36 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.323 . . . . 0.0 111.445 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -87.79 164.58 15.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.691 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -79.91 -30.89 40.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -102.51 99.64 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.17 84.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.09 76.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -32.22 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -59.97 -39.86 87.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -52.1 -36.88 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -48.61 78.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -34.26 72.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.476 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -64.71 -34.0 77.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 -179.744 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.7 -40.52 25.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.581 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -72.93 -32.9 65.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.403 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 tt -76.91 -18.95 57.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.74 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -26.52 39.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.888 0.375 . . . . 0.0 110.992 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.8 t0 -111.51 -34.58 6.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.751 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 48.7 -84.24 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.98 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 70' ' ' ASP . . . -90.97 89.64 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 70' ' ' ASP . 2.3 t -104.89 155.47 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.71 90.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -125.66 139.87 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.017 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.55 120.17 20.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.67 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 18.7 t -92.46 138.62 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -145.51 -159.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.419 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.461 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -77.08 143.99 38.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.234 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.37 -31.03 8.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.332 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -83.65 -158.04 0.28 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.1 156.61 33.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.13 0.491 . . . . 0.0 111.418 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.9 t -116.04 121.02 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.579 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.2 p -92.76 119.14 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.993 0.425 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 2.7 t -98.16 121.72 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.873 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 86' ' ' ILE . 1.4 mt -56.88 -19.88 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.423 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 0.2 OUTLIER -101.62 -44.17 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.111 0.481 . . . . 0.0 109.762 179.132 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.595 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.22 -170.93 23.05 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.371 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 tp -177.9 111.14 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 111.012 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.91 51.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.137 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.24 156.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.132 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.49 118.25 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -134.42 126.1 28.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.854 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.66 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -56.29 152.37 11.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.083 0.468 . . . . 0.0 111.22 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -122.83 -26.6 4.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.203 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 98' ' ' ASP . 22.5 ttpt 179.43 148.4 0.25 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.642 0.258 . . . . 0.0 110.77 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 49.1 -90.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 96' ' ' LYS . 27.9 m-20 -139.43 4.28 2.17 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 21.3 mt -84.66 138.95 32.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.66 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 32.0 m -121.41 171.43 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.663 0.744 . . . . 0.0 112.428 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.449 ' HB3' ' HB2' ' A' ' 117' ' ' CYS . 21.0 mt -114.1 123.67 50.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.991 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.8 t -109.75 136.13 20.36 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.288 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -47.9 122.87 7.74 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.586 2.191 . . . . 0.0 111.59 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 tp -124.3 -39.63 2.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.483 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.589 ' HB ' HG13 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -152.12 150.79 30.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.652 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 86.3 m -147.81 106.72 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -130.51 133.87 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.061 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.9 t -100.4 141.8 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.119 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.47 115.39 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.223 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.21 29.08 69.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.51 5.27 84.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.814 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 44.7 m -116.23 122.75 45.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 2.9 mtt-85 -70.19 148.94 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.9 t -140.59 93.21 2.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.66 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.595 ' HB ' ' HA2' ' A' ' 88' ' ' GLY . 63.0 m -103.49 143.76 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.115 0.483 . . . . 0.0 111.365 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.589 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -121.3 141.96 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.365 178.225 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 84.7 m -131.91 133.67 44.83 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.74 136.11 50.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.092 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 78' ' ' THR . 2.1 t -86.4 113.68 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.777 0.322 . . . . 0.0 110.319 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.0 146.14 34.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.979 0.419 . . . . 0.0 111.555 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -74.56 136.84 42.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.126 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -81.62 123.33 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.808 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.992 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.549 -0.221 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.425 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -132.7 112.24 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 0.0 110.94 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 66.91 -64.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.256 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -46.2 -29.59 1.64 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.495 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 t -60.28 -33.33 72.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.752 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.92 112.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 76.79 134.53 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.81 73.22 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 3.4 mt -73.45 144.44 46.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.147 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.7 p -99.17 -178.9 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -52.62 -29.84 28.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.41 -31.29 67.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 12.1 t70 -58.81 -50.37 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.403 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 6.4 m-85 -62.26 -26.61 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -34.25 74.73 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 107' ' ' LYS . 26.4 t80 -62.62 -36.73 83.71 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.827 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.36 -34.81 76.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.46 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.4 t -55.05 -36.54 65.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.23 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.05 -39.3 50.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.506 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -60.39 -52.08 65.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.914 0.388 . . . . 0.0 110.242 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.66 -20.04 62.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.012 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.66 -21.78 32.34 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.012 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 13.2 p -44.9 162.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 111.269 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -101.8 -30.81 11.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.64 144.45 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.354 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 40.7 t -121.82 127.69 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 mmt-85 -148.4 -176.04 5.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -114.95 139.38 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.75 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.413 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -66.06 -45.03 82.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.49 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -57.39 -26.29 60.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.723 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.72 66.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.653 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' SER . 1.0 OUTLIER -70.78 -18.23 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.202 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -77.38 -4.02 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.486 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.93 136.43 1.52 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.819 0.342 . . . . 0.0 111.365 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.56 177.51 2.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.746 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' HB3' ' HG2' ' A' ' 40' ' ' GLN . 4.1 mp -87.61 -66.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 111.076 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.23 149.99 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.609 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.18 -42.29 29.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -74.94 -34.53 62.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.482 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.495 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -60.23 -58.81 6.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.054 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.417 ' CG1' ' CB ' ' A' ' 72' ' ' ALA . 46.0 t -61.6 -37.59 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.71 79.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.738 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -57.16 -36.74 71.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.025 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -70.91 -35.01 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.995 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -62.87 -37.41 86.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.553 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -34.5 77.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.704 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 77.7 mt -54.89 -60.96 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.89 -37.82 83.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.222 0.534 . . . . 0.0 109.801 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.66 -35.59 72.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -65.38 -27.98 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.449 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.14 -33.42 75.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.519 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.2 OUTLIER -75.04 -23.89 58.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.361 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -67.23 -62.69 1.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.33 -178.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -19.36 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.62 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' OD2' ' CZ ' ' A' ' 14' ' ' PHE . 14.3 t70 -47.93 148.73 1.56 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.775 0.321 . . . . 0.0 111.244 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -73.54 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.9 95.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.93 71.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.32 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -31.95 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.9 p -56.34 -44.75 80.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -52.39 -33.89 45.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.332 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -57.38 -47.44 81.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -34.29 72.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.503 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.42 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 4.0 mtt -61.42 -30.05 70.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.5 -34.88 40.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.416 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -69.63 -30.04 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.164 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 tt -76.76 -25.69 53.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.623 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.95 -30.9 62.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.49 16.88 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.225 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.436 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 24.7 t80 -71.11 139.54 50.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.362 . . . . 0.0 111.267 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.417 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . 59.85 31.05 20.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.577 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.9 t -100.49 155.76 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.858 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -69.16 93.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.917 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -123.61 148.33 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.74 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.52 120.52 21.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.03 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.8 t -81.59 158.45 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.31 159.21 39.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.198 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.83 149.86 46.05 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.156 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.08 -31.01 6.56 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.024 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -158.09 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.486 ' HB3' HG12 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -148.15 153.91 39.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.049 0.452 . . . . 0.0 111.67 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 46.2 t -114.93 119.97 63.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.32 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.5 p -95.91 127.29 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.994 0.426 . . . . 0.0 111.49 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 2.4 t -109.76 131.0 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.71 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.2 pt -70.6 -10.17 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' HB2' ' CB ' ' A' ' 29' ' ' ALA . 7.3 m-20 -109.21 -44.59 3.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.979 0.419 . . . . 0.0 110.184 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.499 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 135.91 -174.88 21.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.56 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.441 ' HB3' HG22 ' A' ' 115' ' ' THR . 16.3 tp -177.92 106.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 110.649 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -99.59 -26.01 14.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.73 153.04 21.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 30.2 ttp -70.05 135.31 49.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.791 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -145.57 150.43 36.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.305 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.4 OUTLIER -83.73 152.5 24.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.947 0.403 . . . . 0.0 110.859 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.418 ' CD2' ' HG2' ' A' ' 96' ' ' LYS . 50.2 t80 -109.47 -30.97 7.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 98' ' ' ASP . 17.5 pttp 178.98 154.73 0.43 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.787 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.25 -88.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.029 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LYS . 12.0 m-20 -141.0 4.19 1.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.5 mt -74.62 119.57 19.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.565 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -110.18 137.66 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.066 0.46 . . . . 0.0 111.404 -179.414 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mt -97.73 123.72 41.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.478 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.0 t -107.74 137.43 19.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.045 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.41 123.57 8.13 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.689 2.259 . . . . 0.0 112.018 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 tp -118.71 -51.38 2.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.653 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.4 m -154.16 127.47 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.943 0.401 . . . . 0.0 111.819 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 91.7 m -119.85 104.54 10.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.769 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.433 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -130.77 147.74 52.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.5 t -106.05 140.82 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.64 130.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.28 -62.06 3.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.12 41.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -163.82 133.37 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 146.11 49.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.0 m -140.51 98.56 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.199 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 105' ' ' THR . 97.7 m -103.56 143.52 32.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 0.0 110.992 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.486 HG12 ' HB3' ' A' ' 82' ' ' ARG . 3.9 tt -122.73 141.69 42.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.998 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 61.0 m -134.21 138.1 44.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 112.057 -178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.16 148.81 50.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.867 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.4 t -97.1 103.05 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.031 0.444 . . . . 0.0 110.594 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -127.06 139.77 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.967 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -74.5 130.67 40.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.55 98.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.9 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.4 -179.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -47.16 -38.56 11.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.096 0.474 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.63 -29.26 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.346 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 t -68.0 -20.49 65.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.812 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mt 64.34 86.01 0.13 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 75.65 -70.24 0.15 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.718 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 170.48 131.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.2 mt -111.68 135.16 52.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.7 t -103.17 -178.95 3.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.826 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -28.13 16.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.43 -42.38 98.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.58 -52.14 66.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 38.5 m-85 -67.79 -26.87 66.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.711 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -34.02 66.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 82.4 t80 -62.3 -36.77 83.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.06 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.3 -40.17 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.325 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -35.05 63.56 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.942 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -77.1 -37.83 53.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.231 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.4 t -64.83 -58.53 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.39 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 42.9 mt -58.43 -23.5 57.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.839 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.21 -32.05 64.54 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.522 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 m -48.64 176.83 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.27 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.22 -62.96 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.26 140.06 49.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.588 ' HB ' ' CG1' ' A' ' 84' ' ' VAL . 1.5 p -124.19 126.32 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.073 0.464 . . . . 0.0 111.246 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.98 -176.49 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.534 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 p -109.61 134.01 52.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.779 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.69 -43.99 85.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.764 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtp -54.82 -25.93 31.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -155.65 67.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.572 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -18.02 64.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.438 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -88.34 12.42 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.61 141.6 0.21 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.918 0.389 . . . . 0.0 111.633 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.08 177.53 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.731 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 4.9 mp -85.31 -67.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.743 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.501 HG21 ' H ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -179.64 -177.28 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 178.653 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -55.8 -76.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.498 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE2' HG23 ' A' ' 37' ' ' THR . 38.0 p90 -52.79 -37.65 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.659 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.501 ' H ' HG21 ' A' ' 37' ' ' THR . 0.0 OUTLIER -55.25 -59.01 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.4 t -56.97 -39.6 66.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.911 0.386 . . . . 0.0 110.648 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.51 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.783 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.15 -56.35 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.43 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -58.92 -36.68 75.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.245 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -63.83 -33.83 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.503 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.68 -30.89 64.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 64.5 mt -57.81 -61.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.45 -42.11 79.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.465 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.16 -30.4 70.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.673 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -72.12 -27.91 62.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -68.43 -33.23 73.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.6 OUTLIER -61.98 -56.69 16.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.832 -179.277 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -49.31 -25.97 2.77 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 50' ' ' ALA . 1.8 m -105.06 22.33 2.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.745 0.307 . . . . 0.0 111.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 27.3 t0 -93.54 159.62 15.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.809 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -70.54 -45.71 64.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.82 94.73 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.81 -29.78 69.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -40.11 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -32.16 65.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.3 p -61.99 -48.93 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.069 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -53.42 -39.36 64.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.201 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -59.58 -40.85 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -70.3 -38.06 74.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.416 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 3.4 mtt -58.16 -31.37 67.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.046 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.48 -34.13 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.621 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -73.18 -33.04 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.353 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 tt -76.81 -21.55 54.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.833 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.26 -25.49 34.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.257 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -103.39 17.03 25.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.266 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.437 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 28.4 t80 -63.46 129.84 41.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 111.378 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.423 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . . . 66.53 36.14 5.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.621 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 68.7 t -107.29 155.78 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.956 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -69.37 91.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -118.5 139.64 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.771 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.33 111.84 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.0 t -81.45 157.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.74 160.1 41.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.333 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.18 149.81 44.46 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.048 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.14 -31.22 6.44 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.18 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.44 -159.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -147.92 153.19 38.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.079 0.466 . . . . 0.0 111.512 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.68 121.64 68.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.279 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.588 ' CG1' ' HB ' ' A' ' 26' ' ' VAL . 1.5 p -92.77 126.27 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.49 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.4 t -108.2 117.33 53.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.911 178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 mt -57.93 -16.24 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.08 -44.23 5.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.172 0.51 . . . . 0.0 109.925 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.488 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.21 -164.37 25.06 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.219 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.6 tp -177.85 107.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.952 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.41 41.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.67 157.05 1.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 23.2 ttm -73.73 126.41 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.59 149.61 44.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.634 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -82.18 152.67 26.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.985 179.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -110.96 -35.3 5.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.178 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' ASP . 10.6 pttp 178.95 162.48 0.76 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 44.84 -90.41 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.8 m-20 -145.89 12.53 1.27 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.62 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.4 mt -85.04 122.41 29.21 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -109.9 137.71 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.133 0.492 . . . . 0.0 111.467 -179.023 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.409 ' HB3' ' HB2' ' A' ' 117' ' ' CYS . 0.6 OUTLIER -98.62 123.94 43.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.394 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.1 t -108.41 131.75 21.56 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.103 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -46.88 123.38 7.2 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.152 1.901 . . . . 0.0 111.669 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.8 tp -121.83 -36.35 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.58 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 115' ' ' THR . 42.4 m -163.15 150.85 13.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 111.458 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 27.5 m -143.59 114.36 7.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.694 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 13.0 mttp -129.01 138.7 52.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.029 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.2 t -104.67 118.34 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.2 t -115.57 121.52 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.055 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.9 -75.68 1.68 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.567 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -165.26 30.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.424 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -149.14 132.47 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -67.14 151.47 47.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 26.4 m -140.48 92.23 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 105' ' ' THR . 87.7 m -100.36 141.53 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.277 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.422 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -123.54 141.97 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.7 178.414 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 41.6 m -132.13 135.22 46.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.988 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.09 147.07 51.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.221 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 3.1 t -94.97 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.952 0.406 . . . . 0.0 110.53 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.91 141.17 46.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.841 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 135.56 42.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.959 0.409 . . . . 0.0 111.028 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.95 105.16 7.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.971 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.867 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.7 -81.76 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.728 0.299 . . . . 0.0 110.605 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.96 -50.88 7.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.024 0.44 . . . . 0.0 110.282 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.69 -26.49 14.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.614 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' A' ' 5' ' ' THR . 86.9 m -109.23 33.48 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.288 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 mt -52.09 -24.83 7.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.365 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.62 -54.39 18.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.55 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.77 -170.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.254 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.0 mt -120.92 148.44 44.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t -87.69 -179.02 6.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -30.87 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.9 -42.61 85.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.824 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -60.78 -52.08 66.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -62.5 -26.77 68.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -76.43 -30.66 57.5 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.03 0.443 . . . . 0.0 110.113 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.427 ' CE2' ' HB2' ' A' ' 107' ' ' LYS . 15.6 t80 -72.41 -54.07 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.696 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.509 ' HG ' ' N ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -60.67 -36.9 79.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.72 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.509 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 3.3 p -59.56 -32.86 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 109.817 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.36 -26.72 52.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.155 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.479 HG22 ' N ' ' A' ' 21' ' ' LEU . 4.4 m -70.28 -30.71 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.193 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.479 ' N ' HG22 ' A' ' 20' ' ' VAL . 5.2 mt -74.8 -23.45 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -80.37 -23.06 40.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.681 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.8 p -47.7 171.14 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -103.46 -24.45 13.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.502 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.13 142.81 38.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 111.423 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.424 HG12 ' CE2' ' A' ' 71' ' ' PHE . 40.7 t -126.2 111.6 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.821 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.405 ' CZ ' ' CB ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -143.03 -175.52 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.405 ' CB ' ' CG1' ' A' ' 86' ' ' ILE . 1.0 OUTLIER -113.67 141.18 47.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.452 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -61.08 -52.83 63.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -25.77 17.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.958 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -151.83 72.95 1.04 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.566 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.85 -17.97 59.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.341 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.29 12.47 13.9 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -172.99 160.76 4.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.898 0.38 . . . . 0.0 111.366 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' CB ' ' CZ ' ' A' ' 27' ' ' ARG . . . -96.77 177.47 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HB2' ' CB ' ' A' ' 40' ' ' GLN . 4.1 mp -95.69 -67.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.676 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.468 HG23 ' HB2' ' A' ' 40' ' ' GLN . 5.2 t 171.61 157.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.556 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -38.16 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.355 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -34.69 61.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.482 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 6.3 mm-40 -69.97 -55.68 8.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.04 -37.3 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.713 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . . . -65.33 -37.58 87.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.058 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -38.07 72.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.082 0.468 . . . . 0.0 109.994 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.427 ' CD1' HD22 ' A' ' 48' ' ' LEU . 9.6 t80 -75.91 -47.68 24.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.485 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.548 ' HG2' ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.98 -26.77 67.8 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.79 -30.35 56.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.699 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mt -58.79 -61.26 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.427 HD22 ' CD1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -68.59 -36.78 79.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.686 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -56.92 -37.99 72.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.059 0.457 . . . . 0.0 110.101 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -68.67 -27.6 66.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.306 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.3 t -66.74 -33.24 75.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.883 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -66.88 -39.92 87.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.194 -178.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -79.23 5.29 12.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.101 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG21 ' O ' ' A' ' 50' ' ' ALA . 2.0 m -124.21 22.27 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 111.243 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -97.02 170.85 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.811 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.34 -39.67 20.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -86.54 109.2 18.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.59 86.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.21 94.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -60.31 -50.67 72.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -52.03 -51.62 56.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.0 mtt85 -50.98 -33.76 26.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.0 -44.09 64.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -38.27 75.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.564 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -35.07 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.24 -33.98 43.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.15 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -67.29 -28.34 67.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.021 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.407 ' CD2' ' HD3' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -76.46 -29.81 57.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.303 179.3 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.37 -25.62 59.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.82 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -100.53 16.85 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.093 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.424 ' CE2' HG12 ' A' ' 26' ' ' VAL . 31.3 t80 -62.61 131.44 49.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 111.179 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.71 34.43 23.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.358 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.3 p -74.66 155.98 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.22 96.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -143.79 144.39 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.784 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.12 134.09 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.9 t -83.79 155.71 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.701 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.78 157.91 43.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.115 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 119' ' ' VAL . . . -61.39 149.26 38.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.144 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.53 -31.12 6.66 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.31 -158.14 0.15 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 158.28 39.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.208 0.527 . . . . 0.0 111.563 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.7 t -120.11 127.94 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.579 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.5 p -92.78 131.69 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.123 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 2.4 t -109.64 144.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.053 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.405 ' CG1' ' CB ' ' A' ' 28' ' ' SER . 5.6 pt -81.82 -18.72 11.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.795 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -105.82 -44.13 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.168 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.512 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.26 -174.77 21.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.786 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.404 ' HB3' HG21 ' A' ' 115' ' ' THR . 8.3 tp -178.02 115.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.706 0.288 . . . . 0.0 110.79 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.88 44.34 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.202 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.94 153.73 0.84 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 2.7 ttt -57.44 124.41 18.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -134.05 126.7 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.978 0.418 . . . . 0.0 111.959 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -60.03 141.89 54.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.155 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 95' ' ' PHE . 89.5 t80 -134.32 0.64 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.549 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 -167.63 1.53 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.725 0.297 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.42 -46.28 18.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.19 19.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.481 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.9 mt -108.34 123.2 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.451 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 34.4 m -110.07 179.64 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.367 0.603 . . . . 0.0 111.869 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 93' ' ' ALA . 14.5 mt -124.65 123.48 40.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.983 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.0 t -106.09 136.82 19.27 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.036 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.69 123.35 8.16 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.513 2.142 . . . . 0.0 111.59 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.447 ' HB3' HG22 ' A' ' 116' ' ' ILE . 11.2 tp -122.97 -51.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.569 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.511 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.8 m -146.37 123.44 11.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.989 0.423 . . . . 0.0 111.607 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 m -117.43 121.41 40.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.782 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.427 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 22.7 mttp -146.09 135.13 22.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.8 t -100.1 142.61 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.954 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -142.61 122.79 10.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.035 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.74 34.18 85.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.26 28.55 57.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.401 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.2 m -138.54 118.76 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -68.63 146.53 52.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 m -140.56 104.57 4.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.512 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 98.1 m -108.09 141.17 40.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.125 0.488 . . . . 0.0 111.403 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.447 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -118.93 133.37 65.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.199 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 71.2 m -129.56 140.18 51.3 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.83 138.4 44.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.623 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 2.7 t -87.33 115.65 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.794 0.33 . . . . 0.0 110.33 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.98 149.11 30.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.266 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -74.54 149.36 40.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.52 123.84 33.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.775 -0.13 . . . . 0.0 112.775 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.59 ' CD1' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -102.43 -84.74 0.45 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.52 0.2 . . . . 0.0 110.636 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.2 p -70.56 -26.64 63.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.851 0.358 . . . . 0.0 110.737 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.07 -23.74 62.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 m -107.26 -42.32 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt 62.57 137.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.085 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 56.52 30.7 17.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.225 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.98 124.27 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mt -129.86 163.93 25.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.4 t -70.67 173.15 7.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.781 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.8 -30.72 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -39.89 93.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -52.13 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 40.7 m-85 -59.01 -27.66 65.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.81 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -81.28 -33.42 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.335 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CG ' ' HD2' ' A' ' 107' ' ' LYS . 10.7 t80 -73.07 -54.2 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.558 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -59.48 -36.2 75.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.48 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.466 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -59.31 -33.96 71.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.152 0.501 . . . . 0.0 109.688 179.308 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.31 -24.38 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.089 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG21 ' N ' ' A' ' 21' ' ' LEU . 4.3 m -71.77 -29.53 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.347 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.466 ' N ' HG21 ' A' ' 20' ' ' VAL . 14.4 mt -76.45 -18.22 58.9 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -25.05 30.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.582 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.2 p -50.16 176.62 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.22 2.18 16.51 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.65 140.31 5.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.934 0.397 . . . . 0.0 111.576 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.401 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 11.9 t -131.27 107.39 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.589 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.55 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -157.76 134.01 9.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.391 . . . . 0.0 111.115 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.6 145.19 56.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.242 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.28 89.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.8 mmt -51.78 -31.0 25.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.717 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -149.8 64.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.225 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -58.38 -19.64 37.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.618 -179.347 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -109.25 -14.26 14.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.502 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -118.56 140.77 49.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 111.446 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.49 177.52 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.44 -66.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.432 . . . . 0.0 110.743 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.57 168.59 0.49 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -51.37 -54.24 28.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.115 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' CE2' ' HG3' ' A' ' 40' ' ' GLN . 55.3 p90 -74.96 -34.54 62.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 15.3 mt-30 -66.23 -40.18 90.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.328 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.75 -39.7 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 110.798 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.55 -28.01 69.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.519 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -57.02 -44.91 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.529 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -69.46 -42.16 75.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.433 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HD3' ' CD2' ' A' ' 71' ' ' PHE . 15.4 mtm180 -59.66 -30.67 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.755 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -72.59 -31.59 65.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.803 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.4 -59.45 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 mt -66.89 -44.89 79.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.1 -31.53 67.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.8 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -71.6 -27.98 63.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -33.17 74.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.87 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.476 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.6 OUTLIER -63.59 -56.44 15.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.078 -179.111 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -49.18 -25.55 2.3 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.007 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -103.5 22.27 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.719 0.295 . . . . 0.0 111.316 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 26.9 t0 -98.07 144.78 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.769 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -56.25 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -64.81 100.1 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.82 -48.54 68.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.97 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.175 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 4.5 mtt180 -63.16 -43.07 99.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 t -56.06 -33.24 64.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.195 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -63.33 -50.63 69.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.976 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 60' ' ' ARG . 0.4 OUTLIER -59.38 -32.4 70.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.201 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' HB2' ' CD1' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -69.79 -42.06 74.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.419 . . . . 0.0 110.149 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.476 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 1.8 mtt -58.36 -30.12 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.44 -36.71 33.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.023 0.44 . . . . 0.0 110.324 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -72.16 -32.5 66.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.6 tt -74.46 -23.33 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.431 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.35 -31.28 61.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.993 0.425 . . . . 0.0 110.718 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.49 -34.6 16.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.419 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CD2' ' HD3' ' A' ' 45' ' ' ARG . 45.2 t80 39.53 -92.24 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.963 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.89 58.01 0.62 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.9 0.381 . . . . 0.0 111.223 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.7 p -73.51 145.11 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.32 91.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.004 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -127.79 158.45 37.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.803 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -84.16 123.6 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.429 HG23 ' CZ ' ' A' ' 95' ' ' PHE . 52.1 t -81.55 143.66 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.309 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.63 162.21 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.545 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.3 147.82 50.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.999 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 -31.14 6.66 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -80.7 -158.05 0.18 Allowed 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.16 162.22 40.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.077 0.465 . . . . 0.0 111.367 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.42 ' HB ' HD23 ' A' ' 101' ' ' LEU . 44.9 t -124.3 126.12 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.628 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 10.0 p -94.9 109.86 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.05 0.452 . . . . 0.0 111.394 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.7 t -87.24 133.48 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.38 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.4 mt -70.56 -9.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 12.8 t70 -109.65 -44.38 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.413 . . . . 0.0 110.304 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.5 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.04 -176.84 19.99 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.563 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.438 ' HB3' HG22 ' A' ' 115' ' ' THR . 15.3 tp -177.87 120.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.602 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -125.11 47.08 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 111.559 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.67 157.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.211 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.9 ttt -62.65 124.46 21.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.333 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.43 129.04 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 10.4 t-80 -57.09 144.44 34.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.88 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.429 ' CZ ' HG23 ' A' ' 77' ' ' VAL . 89.5 t80 -124.92 -24.68 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.766 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' N ' ' CE1' ' A' ' 94' ' ' HIS . 3.7 ttpm? 179.73 135.99 0.11 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.72 -89.53 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.038 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -135.21 9.9 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.585 0.231 . . . . 0.0 111.196 179.624 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.0 mt -92.26 123.3 35.49 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.461 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 30.8 m -109.87 177.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.382 0.611 . . . . 0.0 111.565 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' ALA . 6.2 mt -124.52 123.44 40.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.197 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.3 t -107.2 137.48 19.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.043 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -47.52 123.39 8.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.558 2.172 . . . . 0.0 111.661 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.406 ' HB3' ' CG2' ' A' ' 116' ' ' ILE . 7.1 tp -121.9 -51.86 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.708 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 115' ' ' THR . 2.8 m -152.51 123.69 7.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.089 0.471 . . . . 0.0 111.939 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 91.1 m -116.83 120.7 39.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.727 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.429 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 19.4 ttmm -144.37 131.29 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.0 t -96.99 134.97 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.0 t -138.38 121.37 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.084 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.91 6.39 85.56 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.81 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 99.41 26.31 8.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.61 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.4 118.7 12.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 66.9 mtm180 -60.73 141.63 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.5 105.49 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.5 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 92.5 m -107.73 144.21 35.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.118 0.485 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.492 ' N ' HG21 ' A' ' 115' ' ' THR . 1.0 OUTLIER -119.45 134.12 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.033 178.474 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 92.2 m -128.87 139.98 51.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -73.73 140.96 46.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.684 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.3 t -89.71 112.12 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.931 0.396 . . . . 0.0 110.701 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.8 141.98 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.382 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.19 125.49 29.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 94.08 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.934 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.414 ' O ' ' HB ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -130.98 -164.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 0.0 111.034 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -50.87 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.608 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.76 -29.47 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 55.5 m -65.16 -38.88 91.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.558 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mt 56.75 29.42 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -129.32 -63.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.78 179.83 5.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.7 mt -131.0 129.32 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t -62.39 171.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -59.39 -29.88 68.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.963 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -58.6 -31.35 67.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -52.22 20.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.408 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 27.9 m-85 -66.7 -30.02 70.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.713 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -30.28 54.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.185 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.63 -54.06 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.505 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 14' ' ' PHE . 1.3 pp -57.85 -36.38 72.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.774 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.404 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 14.9 p -54.85 -40.26 69.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.125 0.488 . . . . 0.0 109.936 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.13 -26.21 52.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.246 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.2 t -62.42 -47.12 94.51 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.061 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 43.2 mt -59.58 -23.91 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.021 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.15 -29.2 61.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.671 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.9 m -49.6 162.64 0.15 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.405 ' HB3' ' CG2' ' A' ' 77' ' ' VAL . 0.2 OUTLIER -107.28 16.26 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.502 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.65 145.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 111.309 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.47 ' CG1' ' CZ ' ' A' ' 71' ' ' PHE . 21.2 t -134.26 122.29 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.834 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 mmt-85 -150.91 -175.84 5.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.425 ' CB ' ' CG1' ' A' ' 86' ' ' ILE . 19.7 p -113.18 134.63 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.77 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.4 ' HB1' HG13 ' A' ' 85' ' ' VAL . . . -57.67 -43.88 85.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.677 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.1 mtt -56.58 -28.2 59.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.832 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -158.37 73.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.491 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -76.48 -18.12 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.392 -179.595 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -5.38 43.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.47 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.14 134.25 6.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.761 0.315 . . . . 0.0 111.416 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.46 177.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.61 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -75.35 -68.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.789 0.328 . . . . 0.0 110.268 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.482 ' HB ' ' O ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER 173.4 171.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.416 178.441 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.73 -64.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.131 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -72.87 -34.5 66.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.913 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.495 ' HB3' ' HB3' ' A' ' 36' ' ' LEU . 20.3 mt-30 -57.31 -52.7 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.583 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.0 t -56.03 -37.55 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.1 83.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.121 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -56.95 -56.29 23.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.419 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -57.39 -33.63 68.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.171 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -65.12 -34.87 79.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.486 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -73.77 -33.1 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.5 mt -54.95 -60.19 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.83 -45.53 89.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.421 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 t30 -59.57 -29.91 68.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.744 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.485 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -70.14 -28.19 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.331 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.89 -33.34 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.408 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.426 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -62.67 -56.48 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.72 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.485 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -55.04 -20.66 9.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.952 -179.277 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 50' ' ' ALA . 5.1 m -101.76 22.29 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.213 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' CE2' ' A' ' 14' ' ' PHE . 10.4 t70 -105.84 169.84 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -98.59 27.62 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.029 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.4 93.53 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.13 81.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.99 -50.51 22.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -65.52 -38.31 89.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 t -60.77 -57.36 13.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -51.05 -35.65 35.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.239 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -59.88 -44.44 94.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -38.86 75.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.426 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 2.9 mtt -55.59 -37.42 68.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.134 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.36 -30.94 42.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.6 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -75.82 -37.31 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.71 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.409 ' CD2' ' HA ' ' A' ' 65' ' ' MET . 4.2 pp -76.78 -16.96 59.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -29.17 57.19 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -101.46 16.93 24.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.47 ' CZ ' ' CG1' ' A' ' 26' ' ' VAL . 54.1 t80 -55.53 137.53 48.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.194 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.39 39.86 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.2 p -97.44 152.18 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -69.46 122.65 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.07 139.55 13.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.89 116.82 11.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.405 ' CG2' ' HB3' ' A' ' 24' ' ' ARG . 22.2 t -89.46 138.02 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 119' ' ' VAL . 0.1 OUTLIER -128.87 -163.32 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.518 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.41 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -83.05 149.45 26.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.371 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.91 -31.07 7.61 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.52 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.79 -158.03 0.16 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.77 148.97 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.08 0.466 . . . . 0.0 111.491 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.7 t -105.51 123.47 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.208 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.9 p -92.7 115.81 32.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.039 0.447 . . . . 0.0 111.135 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.4 HG13 ' HB1' ' A' ' 29' ' ' ALA . 3.3 t -93.64 139.01 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.425 ' CG1' ' CB ' ' A' ' 28' ' ' SER . 2.9 pt -81.82 -5.93 9.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 0.3 OUTLIER -114.17 -44.49 3.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.921 0.391 . . . . 0.0 110.154 179.537 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.479 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.98 -174.39 21.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.787 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.421 ' HB3' HG21 ' A' ' 115' ' ' THR . 10.8 tp -177.99 145.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 110.356 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -146.36 42.73 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.202 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.75 157.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.0 ttt -59.89 127.69 33.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.569 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.16 125.25 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 5.2 t60 -54.83 147.84 14.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.039 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -126.54 -27.37 3.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.19 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.2 OUTLIER 179.22 144.92 0.15 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.631 0.253 . . . . 0.0 111.098 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.8 t70 46.54 -88.35 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.351 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' LYS . 12.8 m-20 -139.81 13.96 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.761 0.315 . . . . 0.0 111.266 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 53.1 mt -96.36 123.7 40.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.197 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 27.6 m -110.17 176.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.306 0.574 . . . . 0.0 111.864 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 93' ' ' ALA . 14.2 mt -121.77 123.62 42.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.6 t -105.34 136.22 19.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.917 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -47.78 123.44 8.4 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.505 2.137 . . . . 0.0 111.36 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.467 ' HB3' HG22 ' A' ' 116' ' ' ILE . 2.4 tp -120.61 -51.7 2.15 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.9 m -151.2 123.66 8.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.973 0.416 . . . . 0.0 112.018 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 93.9 m -115.86 122.39 45.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.64 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -149.64 132.88 16.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.9 t -84.91 125.51 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.058 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 25.1 t -116.78 122.05 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.24 -69.33 1.1 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.595 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -170.66 35.54 0.17 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.405 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -158.09 129.69 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.314 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.405 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 1.9 mtp180 -59.55 144.88 46.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 10.4 m -140.54 106.16 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.479 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 91.5 m -105.31 143.28 33.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 0.0 111.099 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.467 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -116.46 137.86 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 71.3 m -133.39 139.18 46.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.79 140.38 45.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.774 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 78' ' ' THR . 3.9 t -90.69 110.77 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.83 0.348 . . . . 0.0 110.401 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.5 144.01 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 0.0 111.439 -179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -74.75 134.07 41.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.009 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -101.74 157.16 17.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.772 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.897 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.419 ' O ' ' CG2' ' A' ' 3' ' ' THR . 0.2 OUTLIER -151.09 -151.25 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 2' ' ' LEU . 3.0 t 45.4 72.87 0.18 Allowed 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.419 ' CB ' ' CD2' ' A' ' 9' ' ' LEU . . . 65.41 18.48 11.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.243 -177.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 5' ' ' THR . 61.3 m 49.83 24.29 1.24 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.773 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 35.15 35.32 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.085 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.34 -66.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.56 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.27 160.15 16.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.419 ' CD2' ' CB ' ' A' ' 4' ' ' ALA . 28.5 mt -127.65 175.26 8.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.17 172.68 6.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -30.46 68.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -34.1 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.54 -52.04 62.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 55' ' ' ASP . 53.9 m-85 -72.87 -26.92 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -74.05 -36.83 64.41 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.209 0.528 . . . . 0.0 109.711 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' CG ' ' HD2' ' A' ' 107' ' ' LYS . 79.9 t80 -60.05 -36.66 77.8 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.139 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -65.43 -36.07 82.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.291 179.516 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.0 t -54.87 -35.16 63.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -77.58 -47.81 18.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.142 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 17' ' ' LEU . 2.7 m -58.84 -47.25 89.96 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.358 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 83.9 mt -61.29 -22.2 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.87 -24.69 48.44 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.737 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.0 p -47.02 170.22 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.819 0.342 . . . . 0.0 111.196 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -104.35 -28.71 11.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.044 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.98 140.64 31.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.185 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.423 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 22.0 t -111.56 107.26 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.55 178.77 6.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.9 p -118.88 152.79 35.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.745 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.39 -34.39 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.4 mtt -55.91 -28.06 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.978 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -159.15 54.71 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -22.32 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.502 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -70.1 -10.82 60.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.646 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.25 175.14 13.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.96 0.409 . . . . 0.0 111.401 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.72 177.32 6.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.793 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 4.1 mp -96.01 -66.65 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 177.49 160.91 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.784 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -53.28 -44.44 68.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.634 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -74.99 -34.55 61.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.659 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 3.8 mm-40 -59.46 -57.79 11.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.996 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.8 m -58.87 -34.0 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.514 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . . . -65.21 -38.6 90.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.475 ' O ' HG13 ' A' ' 47' ' ' ILE . 9.2 tp-100 -57.17 -43.06 82.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 110.067 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -75.75 -46.89 28.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.736 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HG2' ' HA ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -58.35 -26.8 63.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -76.76 -33.6 58.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.712 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 43' ' ' GLN . 9.7 mt -55.46 -60.86 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mt -65.85 -44.16 86.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.443 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -56.97 -36.12 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.528 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 -28.02 64.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.692 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -33.34 75.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.578 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 3.7 mt -59.5 -53.94 52.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.419 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.436 ' H ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -46.48 -40.31 12.2 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.888 0.375 . . . . 0.0 111.269 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 m -93.75 22.38 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.667 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.418 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 38.1 t0 -88.19 155.82 19.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.642 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -71.43 -70.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.98 106.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.18 69.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.2 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.49 77.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.071 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -65.99 -36.32 82.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.8 p -56.22 -47.66 78.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -54.76 -38.83 67.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -62.0 -46.68 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.08 -38.59 75.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.759 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.456 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.55 -38.72 75.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.53 -32.89 36.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -72.47 -35.89 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.581 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 tt -76.56 -22.08 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.995 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.54 48.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.252 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.2 16.84 22.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.423 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 9.5 t80 -60.79 144.28 52.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.1 33.49 19.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.0 p -92.42 150.68 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 89.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.86 141.13 48.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.795 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.85 114.76 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.406 HG23 ' CE2' ' A' ' 95' ' ' PHE . 48.7 t -81.46 151.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.677 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.06 160.26 40.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.269 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.57 148.56 45.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.136 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.78 -30.99 6.85 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -76.75 -158.0 0.1 Allowed 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -149.55 165.52 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 111.57 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.6 t -136.06 129.12 46.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.393 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.7 p -95.84 116.08 36.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.0 111.53 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -89.15 110.02 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.469 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.9 mt -50.48 -23.96 2.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.775 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 28.9 t0 -96.57 -43.84 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.132 0.491 . . . . 0.0 109.86 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.477 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.09 -169.16 23.76 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.318 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.41 ' CB ' HG21 ' A' ' 115' ' ' THR . 2.4 mt -177.92 146.34 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.599 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.22 33.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.253 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.37 156.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.048 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 1.7 ttt -52.72 126.1 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.754 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.35 124.7 20.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.447 ' HA ' ' CG1' ' A' ' 100' ' ' VAL . 29.7 t-80 -57.29 144.81 34.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.974 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.406 ' CE2' HG23 ' A' ' 77' ' ' VAL . 55.8 t80 -123.15 -29.77 3.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.246 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 98' ' ' ASP . 23.8 pttt 179.35 149.02 0.26 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.727 0.299 . . . . 0.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.52 -90.03 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' LYS . 2.8 m-20 -140.8 12.5 2.27 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.581 0.229 . . . . 0.0 111.358 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 33.1 mt -95.66 123.81 39.39 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.447 ' CG1' ' HA ' ' A' ' 94' ' ' HIS . 27.8 m -109.88 177.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.23 0.538 . . . . 0.0 111.634 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 93' ' ' ALA . 15.6 mt -123.36 123.58 41.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.42 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.4 t -105.32 137.25 19.21 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.992 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.49 123.52 8.15 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.69 2.26 . . . . 0.0 111.67 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.457 ' HB3' HG22 ' A' ' 116' ' ' ILE . 4.5 tp -123.74 -51.76 1.81 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.865 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.5 m -151.85 123.69 8.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 112.092 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 14.6 m -118.98 118.17 30.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.8 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 13.9 ttmt -139.63 123.87 17.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.6 t -81.34 105.87 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.4 m -124.44 132.95 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.98 35.29 54.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.4 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 63.78 28.24 72.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.496 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 m -147.99 156.76 43.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 1.7 mtt180 -82.01 142.52 32.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 3.2 t -140.61 96.08 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.477 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 89.0 m -103.17 144.71 30.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 111.069 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.457 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -121.36 137.92 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.769 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 71.4 m -133.78 141.64 47.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -72.45 139.93 47.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.773 178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.71 113.7 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.857 0.361 . . . . 0.0 110.369 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.28 144.17 37.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.39 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -74.44 147.53 41.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.71 117.96 15.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.869 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.11 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.58 -171.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 110.952 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.27 -27.0 8.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.77 51.01 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.068 0.461 . . . . 0.0 110.521 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -179.74 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.822 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.7 mt 61.29 137.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.347 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 52.58 37.5 23.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.467 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.0 144.81 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.107 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -131.28 165.65 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 t -112.72 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -36.81 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.49 -43.42 97.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -52.16 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.756 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -65.1 -26.88 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -75.37 -38.17 60.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.202 0.525 . . . . 0.0 109.681 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' CE2' ' HB2' ' A' ' 107' ' ' LYS . 27.7 t80 -62.85 -36.73 84.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.005 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -62.16 -39.87 94.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.234 179.4 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -54.64 -34.59 62.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -77.55 -47.37 19.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.998 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 17' ' ' LEU . 2.2 m -61.81 -45.0 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 57.7 mt -69.74 -20.22 63.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.734 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.96 -26.3 34.09 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.756 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 1.6 m -45.24 165.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.89 -9.45 24.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.863 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.12 144.01 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.694 ' HB ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -129.29 136.67 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 179.737 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -160.75 150.27 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.832 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.428 ' N ' HG12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -70.79 130.91 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 -179.757 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.22 -34.18 73.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.499 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.4 mtt -59.48 -28.62 67.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.674 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -155.86 61.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 ' CD2' ' CB ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -57.93 -21.62 44.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.269 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 12.53 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.592 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.5 126.71 1.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.819 0.342 . . . . 0.0 111.413 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.79 177.47 7.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 3.1 mp -84.63 -67.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.815 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 1.1 t 171.92 158.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.03 -51.76 9.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.239 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -34.43 76.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.04 -55.77 6.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.028 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.8 t -55.81 -38.78 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.448 ' HA ' ' NH1' ' A' ' 45' ' ' ARG . . . -65.4 -38.23 89.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.964 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -57.06 -49.68 75.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.524 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -65.13 -34.81 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.321 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' NH1' ' HA ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -65.34 -39.66 92.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.829 179.721 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.81 -33.33 73.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 62.2 mt -59.72 -58.75 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mt -65.67 -42.66 91.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.487 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -56.62 -31.92 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -73.9 -27.69 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.057 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -33.35 75.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -64.09 -56.59 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.809 -179.262 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -55.22 -58.17 8.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -179.561 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -49.56 -27.05 2.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.5 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -55.02 169.61 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -105.48 27.36 8.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.184 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.41 85.71 2.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.028 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.08 -30.37 69.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.06 -47.97 40.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -35.33 60.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.185 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.6 p -59.15 -52.43 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.18 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 5.1 ptt-85 -50.98 -33.71 25.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.197 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' N ' ' HG3' ' A' ' 62' ' ' ARG . 3.2 mtp180 -62.99 -46.78 86.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.785 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -35.46 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.745 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.45 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 1.8 mtt -56.93 -30.52 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.057 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.56 -35.37 34.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.825 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -71.11 -34.21 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.618 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 tt -76.92 -22.51 53.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.837 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.24 -26.01 37.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 72' ' ' ALA . 1.2 t0 -111.58 -34.74 5.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.438 ' CZ ' HG23 ' A' ' 26' ' ' VAL . 11.2 t80 39.55 -90.36 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.006 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 70' ' ' ASP . . . -81.2 71.11 8.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.841 0.353 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.1 m -68.94 139.73 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.304 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -81.47 89.88 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -157.35 160.01 38.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.24 139.83 37.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 19.8 t -81.55 160.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.381 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -142.58 160.67 39.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.446 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.456 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -61.43 145.31 52.13 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.183 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.13 7.04 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -80.86 -158.14 0.19 Allowed 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.424 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 0.7 OUTLIER -154.76 157.65 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.165 0.507 . . . . 0.0 111.47 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.4 t -120.15 118.49 57.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.295 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.694 ' CG1' ' HB ' ' A' ' 26' ' ' VAL . 6.3 p -93.08 113.87 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 111.036 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.8 t -93.32 115.62 32.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.29 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.428 HG12 ' N ' ' A' ' 28' ' ' SER . 8.8 pt -55.32 -21.26 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.037 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 2.7 t0 -97.58 -43.98 6.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 109.872 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.482 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.69 -173.26 21.88 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.088 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.428 ' CB ' HG23 ' A' ' 115' ' ' THR . 2.7 mt -177.89 106.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -114.8 43.59 1.93 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.977 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.19 155.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 32.0 ttm -59.67 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.64 124.32 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 86.6 t60 -65.31 152.55 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -121.89 -34.94 3.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.926 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.77 153.58 0.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.647 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.9 t0 44.59 -87.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.122 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 96' ' ' LYS . 9.7 m-20 -141.86 13.19 2.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.466 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.1 mt -88.33 119.79 29.09 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.461 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -114.18 141.25 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.428 -179.396 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.4 mt -98.84 129.96 45.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.105 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 24.5 t -115.71 138.25 23.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -47.68 123.57 8.45 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.737 2.291 . . . . 0.0 111.973 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.447 ' HB3' HG22 ' A' ' 116' ' ' ILE . 2.1 tp -119.97 -51.74 2.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.792 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.8 m -150.96 123.65 8.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.95 0.405 . . . . 0.0 111.941 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 16.9 m -119.57 117.83 29.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.84 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.423 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 8.0 mttp -135.89 144.17 45.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.8 t -99.36 123.43 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.02 114.71 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 77.24 32.3 48.65 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.79 27.76 70.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.7 m -140.88 137.64 33.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 4.0 mtm180 -80.53 126.95 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -118.38 92.37 3.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.834 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.482 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 90.8 m -96.89 142.98 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 111.056 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.461 ' N ' HG22 ' A' ' 115' ' ' THR . 0.1 OUTLIER -123.77 137.65 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.435 178.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 67.4 m -129.91 141.15 50.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.026 0.441 . . . . 0.0 112.142 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.424 ' HA ' ' HG3' ' A' ' 82' ' ' ARG . 24.9 t70 -74.78 138.51 42.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 5.4 t -87.97 102.97 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.984 0.421 . . . . 0.0 110.647 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.13 140.3 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.129 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -74.71 119.1 18.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.96 149.26 34.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.316 -0.85 . . . . 0.0 111.447 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.464 ' C ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.464 ' HG ' ' C ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER 30.87 -93.3 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.872 0.469 . . . . 0.0 112.151 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.7 p -89.17 -46.17 9.01 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.975 0.417 . . . . 0.0 110.514 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.18 -24.3 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.038 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.6 m -104.63 -30.1 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mt 58.01 175.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.76 76.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.09 148.61 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -116.18 148.36 40.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.994 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.5 t -81.87 -179.28 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -62.15 -27.32 68.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.3 -45.54 87.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.29 -44.77 95.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.465 ' CD1' HD23 ' A' ' 17' ' ' LEU . 2.5 m-85 -72.87 -26.73 61.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -28.66 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 109.999 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 18.0 t80 -73.87 -54.29 8.31 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.525 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.513 ' O ' HG21 ' A' ' 20' ' ' VAL . 1.2 pp -63.7 -36.48 84.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.993 0.425 . . . . 0.0 110.229 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.439 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 46.8 t -64.38 -34.01 77.17 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -77.44 -26.34 51.44 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.82 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 17' ' ' LEU . 3.7 m -73.15 -32.95 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.049 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.486 ' N ' HG21 ' A' ' 20' ' ' VAL . 11.3 mt -66.72 -22.5 66.06 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.19 -33.01 71.2 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.084 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.8 m -45.49 169.69 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.53 -46.19 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.35 140.24 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.955 0.407 . . . . 0.0 111.259 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.423 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 21.7 t -120.48 107.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 0.7 OUTLIER -138.94 175.75 9.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.08 150.78 28.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -67.46 -46.86 71.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.728 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.2 mmm -55.52 -26.14 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.726 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 31' ' ' ASN . 8.0 p-10 -155.71 71.95 0.77 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.51 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.79 -18.9 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.47 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -91.42 12.51 20.38 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.1 134.96 0.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 111.447 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.83 177.56 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.774 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 4.7 mp -77.15 -67.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.613 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.499 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 0.1 OUTLIER 175.71 166.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.733 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.8 m -44.62 -68.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.868 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.448 ' CZ ' ' CG2' ' A' ' 37' ' ' THR . 41.4 p90 -53.62 -34.43 58.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.602 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.499 ' HB2' ' CG2' ' A' ' 37' ' ' THR . 0.9 OUTLIER -66.16 -58.63 5.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 111.475 -179.798 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.3 t -55.43 -41.32 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.61 92.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.704 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -53.45 57.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.157 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -59.32 -35.38 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.221 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -63.5 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.88 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.11 -29.05 48.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.6 mt -58.6 -61.16 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 48' ' ' LEU . 1.9 mt -65.74 -49.83 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.751 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -53.43 -29.99 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -73.84 -27.88 61.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -33.04 74.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -65.95 -56.73 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.018 -178.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -53.32 -55.11 27.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 111.675 -179.193 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 m -49.22 -26.52 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.62 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.91 171.2 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -97.18 -32.82 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.99 89.12 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.64 78.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.26 81.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.182 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -75.97 -37.27 58.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.082 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.7 t -62.42 -49.79 74.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.353 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.93 -33.75 25.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.303 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -69.16 -44.25 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -70.3 -42.61 71.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.456 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 1.6 mtt -54.18 -33.58 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.59 -31.0 47.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.367 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.33 -32.15 66.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.385 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.8 tt -76.84 -23.05 52.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.88 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.17 -23.85 23.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.258 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -105.5 16.79 24.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.223 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.423 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 34.3 t80 -58.21 136.37 57.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.832 0.349 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.02 44.37 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 p -97.51 153.14 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -79.9 118.89 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -161.96 154.55 19.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -83.45 130.23 35.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.429 ' CG2' ' CE2' ' A' ' 95' ' ' PHE . 3.2 t -81.64 162.13 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.25 163.12 39.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.392 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.88 146.35 53.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.306 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.86 -31.03 6.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.349 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -77.88 -158.16 0.12 Allowed 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.405 ' HG2' ' CD2' ' A' ' 104' ' ' LEU . 1.7 mpt_? -154.93 151.79 28.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.059 0.457 . . . . 0.0 111.624 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.9 t -116.13 123.95 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.241 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.3 p -92.84 120.91 42.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.946 0.403 . . . . 0.0 111.365 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 5.7 t -101.09 110.73 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.431 HG23 HD13 ' A' ' 86' ' ' ILE . 4.2 mt -45.76 -27.76 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.813 -178.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 1.0 OUTLIER -94.51 -43.74 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.609 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.05 -172.16 22.46 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.228 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.1 tp -177.84 106.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.409 . . . . 0.0 111.098 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.449 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 14.0 m-20 -117.94 53.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.611 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.61 145.18 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 4.7 ttt -59.16 120.29 8.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.434 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -136.11 128.47 30.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 31.3 t-80 -59.87 147.92 36.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.776 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.429 ' CE2' ' CG2' ' A' ' 77' ' ' VAL . 66.1 t80 -123.47 -31.32 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.355 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.26 153.88 0.44 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.745 0.307 . . . . 0.0 111.165 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 46.65 -88.83 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.364 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 96' ' ' LYS . 58.3 m-20 -146.77 20.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.939 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.0 mt -104.03 125.69 50.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.279 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 24.8 m -110.26 173.15 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.444 0.64 . . . . 0.0 111.726 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' ALA . 12.5 mt -116.64 123.38 47.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.107 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 117' ' ' CYS . 21.6 t -108.84 138.71 20.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.794 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.449 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 4.6 Cg_endo -46.95 123.4 7.32 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.493 2.128 . . . . 0.0 111.634 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.405 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 7.9 tp -118.11 -47.18 2.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.492 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' A' ' 115' ' ' THR . 23.3 m -163.6 129.44 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.032 0.444 . . . . 0.0 111.586 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 87.0 m -121.49 115.97 23.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.812 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 11.3 mttm -138.14 145.69 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.9 t -111.71 130.37 65.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.6 t -127.89 117.72 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.41 -57.83 4.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 171.41 43.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.558 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.3 m -153.62 135.55 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 7.8 mtm180 -77.58 109.41 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.989 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 23.1 t -107.42 103.51 12.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.609 ' HB ' ' HA2' ' A' ' 88' ' ' GLY . 75.9 m -113.38 152.64 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 110.888 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.403 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -129.84 142.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.807 178.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 102' ' ' VAL . 86.0 m -129.3 139.41 51.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.187 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -71.58 138.45 48.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.153 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.437 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 2.7 t -90.35 110.85 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.19 147.62 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.52 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -74.62 152.41 39.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.024 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -79.78 131.98 36.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.974 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.916 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.436 ' HG ' ' N ' ' A' ' 3' ' ' THR . 2.0 pt? -156.78 -46.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.794 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.436 ' N ' ' HG ' ' A' ' 2' ' ' LEU . 29.0 p -119.24 -44.26 2.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.1 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.61 -26.98 64.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.489 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.9 m -92.24 -53.84 4.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.318 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mt 62.07 -81.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.326 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -97.08 77.91 2.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.46 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 173.73 81.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mt -104.53 166.38 10.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.5 p -106.88 -179.05 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.59 -28.54 46.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.01 -45.4 86.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.44 93.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.412 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 11.5 m-85 -71.56 -26.96 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.75 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -77.66 -29.4 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.344 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.464 ' CE2' ' CB ' ' A' ' 107' ' ' LYS . 48.3 t80 -73.33 -54.29 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.502 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 14' ' ' PHE . 1.8 pp -62.22 -36.23 81.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.368 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -59.16 -45.36 91.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.996 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 22' ' ' ASP . 76.8 m-20 -77.02 -14.37 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.623 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.5 t -73.98 -46.58 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' HB3' ' HB3' ' A' ' 67' ' ' LYS . 38.4 mt -57.93 -25.61 61.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.921 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 2.4 m-20 -61.89 -28.31 69.42 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.283 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 13.8 p -50.57 -179.06 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.139 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -109.38 -45.61 3.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.574 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.17 148.27 37.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 111.582 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.472 ' HB ' ' CG1' ' A' ' 84' ' ' VAL . 0.2 OUTLIER -109.76 132.2 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.524 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mmt-85 -156.9 142.05 17.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.16 133.9 46.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.73 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' CB ' HG11 ' A' ' 85' ' ' VAL . . . -60.81 -41.69 96.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 110.345 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.3 mtt -54.82 -25.64 29.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.395 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -147.74 58.53 1.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.228 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -26.15 5.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.529 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -101.64 12.62 36.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.612 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.2 134.73 19.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 111.349 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.77 177.51 6.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.797 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 3.6 mp -95.39 -66.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.55 160.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.798 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -44.31 70.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.615 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -34.48 62.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.453 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 1.5 mp0 -59.91 -56.72 18.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.018 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.2 -34.05 52.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.47 84.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -57.12 -56.42 21.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.542 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.18 -34.95 74.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.493 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -61.56 -36.42 80.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.797 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -74.13 -28.97 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.0 mt -56.73 -61.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.829 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mt -64.79 -35.81 82.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.048 0.452 . . . . 0.0 110.01 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.414 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 3.2 t30 -60.93 -44.18 97.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.493 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -59.07 -28.17 66.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.965 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.43 ' O ' HG21 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -69.16 -32.95 72.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.113 0.482 . . . . 0.0 110.406 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 4.1 mt -64.85 -54.07 36.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.074 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -47.87 -26.37 1.66 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.38 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -100.26 22.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.872 0.367 . . . . 0.0 111.483 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -92.88 171.1 9.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.658 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -48.54 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.55 101.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.35 69.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.57 78.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.16 -36.7 61.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -57.27 -33.34 67.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -39.57 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -43.87 93.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -41.36 74.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.469 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -59.33 -38.8 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.957 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.55 -35.84 33.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.388 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' HB3' ' HB3' ' A' ' 21' ' ' LEU . 29.7 mtpt -68.35 -30.44 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.28 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 tt -76.85 -27.08 54.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.563 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.15 -26.41 50.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.53 17.36 23.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.447 ' CE2' HG22 ' A' ' 26' ' ' VAL . 30.4 t80 -40.63 -70.56 0.1 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.894 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . . . -99.1 28.75 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.99 150.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -76.18 89.81 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.659 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -133.95 160.11 38.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.49 139.14 30.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.979 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 16.9 t -103.43 140.36 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -140.03 -161.17 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.69 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.488 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -82.95 149.72 26.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.288 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.56 -31.17 7.77 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.422 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -90.49 -163.34 1.01 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -151.37 161.09 43.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.138 0.495 . . . . 0.0 111.781 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.6 t -113.48 125.92 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.411 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG1' ' HB ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -92.65 124.38 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.322 179.639 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.421 HG11 ' CB ' ' A' ' 29' ' ' ALA . 3.1 t -106.94 125.39 63.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.054 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 39.9 pt -69.99 -9.73 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.754 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.27 -44.79 3.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.96 0.409 . . . . 0.0 110.004 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.511 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.71 -171.21 22.77 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.55 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 115' ' ' THR . 9.8 tp -177.98 106.64 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.62 45.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.235 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? 176.49 159.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.03 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 145.02 47.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.75 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.17 122.93 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.802 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.417 ' CE1' ' CA ' ' A' ' 96' ' ' LYS . 34.5 t-80 -64.15 152.46 40.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CD2' ' HD3' ' A' ' 96' ' ' LYS . 29.6 t80 -125.7 -33.45 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.568 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.01 153.02 0.38 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.657 0.265 . . . . 0.0 111.192 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 46.16 -88.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.274 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 96' ' ' LYS . 58.5 m-20 -144.46 17.5 1.68 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.644 0.259 . . . . 0.0 111.275 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.2 mt -90.13 119.83 30.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 0.0 110.311 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.28 137.82 42.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.371 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.4 mt -93.93 123.79 37.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.229 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.403 ' CG1' ' HD2' ' A' ' 103' ' ' PRO . 4.0 t -109.09 137.27 20.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.403 ' HD2' ' CG1' ' A' ' 102' ' ' VAL . 5.6 Cg_endo -47.76 123.41 8.33 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.575 2.184 . . . . 0.0 111.768 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 116' ' ' ILE . 5.4 tp -113.73 -50.61 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.304 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 115' ' ' THR . 20.5 m -160.9 131.76 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 111.642 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.6 m -119.7 120.18 35.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.464 ' CB ' ' CE2' ' A' ' 16' ' ' PHE . 4.5 tttm -142.96 138.83 30.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.029 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.7 t -97.2 140.46 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.016 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.15 123.89 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.147 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.37 -62.46 2.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 177.95 39.48 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -156.95 138.74 14.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.78 145.21 48.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 9.0 m -140.49 110.27 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.078 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.511 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 87.9 m -115.01 141.09 48.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 111.198 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.507 HG23 HD11 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -117.33 142.44 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 66.2 m -134.01 135.82 43.66 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.26 141.43 50.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.697 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' A' ' 78' ' ' THR . 10.7 t -91.18 103.03 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.008 0.432 . . . . 0.0 110.871 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.4 ' CG2' HG21 ' A' ' 102' ' ' VAL . 0.5 OUTLIER -123.6 139.38 50.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.95 -179.801 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -74.54 114.96 13.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.009 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 98.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.972 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.634 -0.186 . . . . 0.0 112.634 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.425 ' CD2' ' N ' ' A' ' 3' ' ' THR . 6.0 tt -101.56 -100.1 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 119.728 -0.177 . . . . 0.0 110.67 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.425 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 0.9 OUTLIER 39.37 73.4 0.11 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.808 0.337 . . . . 0.0 110.603 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 61.87 21.63 12.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.789 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER 49.99 24.33 1.33 Allowed 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.378 -179.524 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 38.35 -85.67 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 5' ' ' THR . . . -55.91 -15.33 3.24 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.49 -47.55 54.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.981 0.42 . . . . 0.0 110.385 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.47 146.71 50.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.073 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.8 p -87.4 -179.07 6.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.776 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -54.64 -24.71 22.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -36.13 71.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.252 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.46 -52.85 63.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 110.799 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CE2' ' OD1' ' A' ' 55' ' ' ASP . 4.3 m-85 -73.3 -26.71 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.79 -35.49 70.02 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 107' ' ' LYS . 36.4 t80 -62.33 -38.78 90.79 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.912 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -62.69 -33.58 75.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.271 179.479 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -35.7 72.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.6 -45.27 25.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.452 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 17' ' ' LEU . 2.7 m -57.6 -44.3 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.08 0 CA-C-O 121.023 0.439 . . . . 0.0 110.745 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 2.7 mt -70.62 -20.41 62.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.058 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -90.04 -18.9 25.09 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.085 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -43.98 162.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.703 0.287 . . . . 0.0 111.221 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -99.76 9.08 43.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.813 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.27 140.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 111.523 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.448 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 28.6 t -126.71 107.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.6 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' CZ ' ' CB ' ' A' ' 35' ' ' ALA . 1.2 mmp_? -142.03 -176.51 4.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.147 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 32' ' ' LEU . 1.2 t -113.24 140.84 47.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.713 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -60.31 -45.75 92.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.809 0.337 . . . . 0.0 110.755 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -31.06 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.623 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -140.11 63.76 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.571 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' SER . 8.3 tp -76.94 -18.18 58.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.107 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.99 -26.44 60.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.933 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.15 144.3 24.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.208 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' CB ' ' CZ ' ' A' ' 27' ' ' ARG . . . -69.16 177.41 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.423 ' HB2' ' CB ' ' A' ' 40' ' ' GLN . 2.7 mp -88.55 -66.85 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.403 ' CG2' ' CG ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER 176.25 153.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.642 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -46.0 -41.88 12.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.69 -34.24 69.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.698 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 10.7 mm100 -68.99 -58.31 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.0 t -55.82 -36.59 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.2 95.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.27 -44.75 84.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.283 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -67.16 -36.09 81.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.084 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -63.7 -43.07 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.577 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -57.59 -32.86 67.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.841 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.2 mt -61.34 -60.94 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.7 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mt -63.39 -50.05 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.686 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 4.0 t30 -57.16 -29.8 63.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -69.58 -28.19 65.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.28 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.9 t -70.52 -33.22 70.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.2 OUTLIER -66.78 -56.53 10.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.953 -179.1 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -53.19 -23.14 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.002 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 50' ' ' ALA . 3.7 m -95.47 22.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.742 0.306 . . . . 0.0 111.361 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' OD1' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -104.31 137.78 41.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.804 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -59.32 -39.93 84.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.32 89.35 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.69 84.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 -46.73 89.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.182 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -61.68 -54.52 41.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -56.29 -36.89 69.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -36.72 67.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.684 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.438 ' HG2' ' CD2' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -68.96 -37.15 78.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.7 0.286 . . . . 0.0 111.163 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.438 ' CD2' ' HG2' ' A' ' 63' ' ' ARG . 0.6 OUTLIER -70.07 -43.41 71.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.029 0.442 . . . . 0.0 110.442 179.578 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.449 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 2.2 mtt -55.45 -31.65 62.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.094 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.36 -33.79 42.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.245 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -70.99 -30.76 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.108 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.41 -25.15 57.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.554 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.1 -22.88 30.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.37 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -107.24 17.08 23.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.499 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.448 ' CE2' ' CG1' ' A' ' 26' ' ' VAL . 3.8 t80 -67.43 138.66 56.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 111.082 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.86 42.19 16.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.6 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -107.12 154.8 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.91 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -70.6 89.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.31 139.54 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.661 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.27 138.76 54.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.8 t -98.74 158.62 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.553 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -151.51 158.33 43.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.281 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.19 146.47 50.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.076 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.92 -31.05 7.25 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.02 -158.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -156.62 156.24 33.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.156 0.503 . . . . 0.0 111.928 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.0 t -118.34 127.13 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.435 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.6 p -94.12 114.28 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.886 0.374 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 4.1 t -94.13 114.85 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.989 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 28' ' ' SER . 35.2 pt -55.27 -24.22 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.844 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.571 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 2.7 t70 -93.59 -44.32 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.536 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.36 -168.36 23.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.923 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 tp -178.12 154.9 0.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.664 0.269 . . . . 0.0 110.342 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -159.82 38.13 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.661 0.267 . . . . 0.0 111.493 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.0 155.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 111.128 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -57.52 115.29 2.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.619 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.15 123.64 40.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.002 0.429 . . . . 0.0 111.647 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.44 ' CE1' ' N ' ' A' ' 96' ' ' LYS . 12.4 t-80 -58.42 145.49 38.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -124.44 -26.43 3.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.593 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' ASP . 14.1 pttt 179.68 136.85 0.11 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.669 0.271 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.11 -88.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' LYS . 42.8 m-20 -132.64 -10.34 3.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.64 119.55 18.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 94' ' ' HIS . 30.9 m -110.99 -178.63 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 111.571 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' MET . 18.6 mt -123.44 123.44 40.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.132 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.404 HG23 ' CG2' ' A' ' 120' ' ' VAL . 21.3 t -105.01 136.78 19.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.32 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -48.38 123.66 9.47 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.563 2.175 . . . . 0.0 111.523 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.495 ' HB3' HG22 ' A' ' 116' ' ' ILE . 12.2 tp -122.09 -52.01 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 115' ' ' THR . 25.3 m -156.2 126.93 6.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.963 0.411 . . . . 0.0 112.096 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 94.6 m -118.41 118.65 32.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.698 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 22.0 mttm -131.6 128.03 38.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.87 139.89 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.66 126.1 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.43 -80.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.378 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -155.8 28.51 0.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.71 141.27 24.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 13.4 mtm180 -85.28 160.48 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.2 t -140.77 90.35 2.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.653 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.536 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 89.9 m -96.57 142.83 28.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.082 0.467 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.495 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -124.94 135.26 64.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.17 179.078 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 74.1 m -132.57 135.44 45.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -70.3 142.0 52.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.815 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.02 116.6 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.724 0.297 . . . . 0.0 110.354 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.404 ' CG2' HG23 ' A' ' 102' ' ' VAL . 0.4 OUTLIER -139.16 150.36 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.417 -179.199 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.28 138.46 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.032 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.63 138.79 54.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.889 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -122.91 -171.83 2.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.62 0.248 . . . . 0.0 111.127 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -60.23 1.5 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.632 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.72 -25.47 7.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.2 m -87.24 -32.02 19.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mp 62.48 -79.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -176.36 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.401 . . . . 0.0 111.028 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.59 85.37 1.71 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.957 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.13 139.14 55.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.016 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.0 p -74.3 179.06 4.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -63.82 -25.33 68.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -43.0 85.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -59.1 -50.16 75.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.818 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.41 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 20.1 m-85 -72.79 -27.63 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.866 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.26 -30.02 57.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.125 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.421 ' CG ' ' HD2' ' A' ' 107' ' ' LYS . 44.7 t80 -70.55 -54.05 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.268 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 14' ' ' PHE . 1.9 pp -67.46 -36.53 81.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.639 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -59.77 -39.98 86.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.102 0.477 . . . . 0.0 109.955 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -22.8 51.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.316 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.8 t -66.51 -47.51 83.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.84 0.352 . . . . 0.0 110.106 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.47 -19.62 63.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.162 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -79.34 -23.56 43.33 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.202 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -45.75 160.36 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 8.4 mpt_? -89.88 2.89 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.862 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -179.1 141.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.853 0.359 . . . . 0.0 111.527 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.424 HG12 ' CE2' ' A' ' 71' ' ' PHE . 34.4 t -118.63 107.47 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.684 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -141.23 -175.73 4.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.049 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.08 145.21 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.568 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 87' ' ' ASP . . . -68.24 -39.31 82.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.963 0.411 . . . . 0.0 110.336 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -28.3 69.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.491 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -156.64 72.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.38 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -18.1 58.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.493 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.32 12.48 16.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.6 140.44 4.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 111.443 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.45 177.52 7.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' HB3' ' HG3' ' A' ' 40' ' ' GLN . 3.6 mp -97.4 -67.19 0.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.072 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.404 HG23 ' HG3' ' A' ' 40' ' ' GLN . 0.6 OUTLIER 173.11 160.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.375 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -47.44 -51.33 20.51 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.282 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.42 -34.51 78.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.405 ' HG3' ' HB3' ' A' ' 36' ' ' LEU . 7.0 mm-40 -67.61 -58.33 4.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.29 -35.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.82 92.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.72 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -57.16 -48.88 77.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -62.7 -33.57 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.169 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.6 mtm180 -66.04 -45.74 80.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.736 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -57.6 -35.19 70.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.3 mt -58.1 -60.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.632 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 mt -66.3 -38.49 87.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.328 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -58.93 -50.21 74.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.155 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.556 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -54.09 -27.6 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.764 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -32.5 68.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.053 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' HB2' ' CE ' ' A' ' 65' ' ' MET . 0.3 OUTLIER -75.02 -23.48 58.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.196 0.522 . . . . 0.0 110.835 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -44.46 -62.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.261 -179.578 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.34 -23.04 24.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.946 -177.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -47.44 107.34 0.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.163 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -66.33 -50.25 64.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.986 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 99.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.56 72.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.63 89.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -42.02 48.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.0 p -58.64 -56.26 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.328 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -52.34 -33.84 44.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.272 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -62.77 -52.71 62.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -70.2 -45.51 66.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.449 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -54.22 -30.49 50.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.97 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.42 -34.98 35.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.024 0.44 . . . . 0.0 110.311 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -30.87 71.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.215 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.8 tt -76.86 -28.31 55.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.648 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.29 64.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -108.73 17.06 22.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.424 ' CE2' HG12 ' A' ' 26' ' ' VAL . 23.7 t80 -54.28 148.58 11.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 111.281 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.84 56.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.428 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.19 155.69 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.79 93.79 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -121.58 139.65 53.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.76 121.16 20.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.791 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.43 154.01 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.13 164.99 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.342 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.41 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -63.88 146.97 53.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.079 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.91 -31.15 6.79 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.401 ' HB3' ' HD3' ' A' ' 24' ' ' ARG . 10.7 m-20 -83.98 -157.88 0.29 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.92 157.74 35.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.121 0.486 . . . . 0.0 111.77 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.9 t -121.0 125.41 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.425 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.9 p -92.58 114.19 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.05 0.452 . . . . 0.0 111.209 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 5.6 t -93.5 115.89 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.016 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.6 pt -58.96 -18.7 13.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.895 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.482 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 18.4 t0 -97.61 -44.11 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.174 0.511 . . . . 0.0 109.632 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.69 -176.1 20.37 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.398 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mt -177.97 107.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.755 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -116.65 43.43 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.376 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 154.02 1.01 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.93 0.395 . . . . 0.0 111.463 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.42 ' HG2' HG21 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -59.28 123.05 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.403 179.4 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -136.9 125.78 24.16 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.482 ' HA ' ' CG1' ' A' ' 100' ' ' VAL . 85.8 t60 -59.84 152.33 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.29 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -129.26 -30.78 2.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.533 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.88 155.71 0.45 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.755 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 44.0 -87.52 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.54 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -147.21 22.57 1.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 179.411 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.5 mt -107.53 129.99 54.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.421 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 94' ' ' HIS . 27.7 m -114.34 177.95 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.373 0.606 . . . . 0.0 111.861 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 93' ' ' ALA . 18.4 mt -121.88 123.44 41.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.839 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.407 ' CG1' ' HD2' ' A' ' 103' ' ' PRO . 30.0 t -109.87 138.49 20.73 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.034 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.407 ' HD2' ' CG1' ' A' ' 102' ' ' VAL . 5.8 Cg_endo -47.87 123.45 8.51 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.697 2.265 . . . . 0.0 112.009 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' A' ' 116' ' ' ILE . 11.0 tp -121.01 -51.61 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 115' ' ' THR . 1.7 m -151.41 123.44 8.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.999 0.428 . . . . 0.0 111.775 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 95.1 m -119.18 105.52 11.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.689 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.421 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 4.9 ttmt -126.18 138.46 53.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.018 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.4 t -102.15 124.18 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.5 t -119.05 124.67 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.36 -65.82 0.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.556 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -176.83 40.28 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.2 m -144.66 150.06 36.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -92.62 110.03 21.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.81 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 21.7 m -110.46 108.57 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.397 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.526 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 98.4 m -110.59 144.43 39.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.478 ' N ' HG22 ' A' ' 115' ' ' THR . 1.0 OUTLIER -121.07 134.6 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.698 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 94.8 m -129.23 141.55 51.1 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -78.93 132.78 36.86 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.408 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.41 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 3.3 t -81.43 113.68 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.61 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.46 145.35 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.416 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -74.6 144.25 44.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -98.31 116.57 30.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.79 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.923 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -127.06 -80.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.628 0.252 . . . . 0.0 110.51 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.3 p -88.13 -33.57 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.988 0.423 . . . . 0.0 110.244 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.85 -25.35 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.905 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.9 m -109.81 -31.21 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 62.25 18.89 10.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 62.35 15.56 7.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.47 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 168.11 98.82 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.787 0.327 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.0 mt -85.33 139.5 31.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.9 t -68.48 165.61 18.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -56.31 -29.88 61.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.05 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -39.49 87.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.6 -51.24 69.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 68.9 m-85 -70.96 -26.8 63.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -72.86 -37.37 67.4 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.411 ' CE2' HG12 ' A' ' 20' ' ' VAL . 74.8 t80 -60.84 -36.58 79.5 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.822 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -66.0 -36.28 82.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.728 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -37.86 66.37 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.64 -48.12 17.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.372 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 17' ' ' LEU . 3.0 m -61.64 -33.57 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 CA-C-O 121.056 0.455 . . . . 0.0 110.525 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.4 mt -74.96 -25.0 58.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.516 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.4 -27.37 41.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.436 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -47.28 158.85 0.14 Allowed 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -35.52 8.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.021 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.36 140.35 49.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG13 ' CZ ' ' A' ' 71' ' ' PHE . 12.2 t -138.67 107.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.21 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.48 ' HD3' ' HA ' ' A' ' 35' ' ' ALA . 1.1 mmm180 -161.18 143.68 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 111.379 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.67 138.99 53.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.71 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -52.49 -24.85 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.4 mtt -51.6 -25.78 7.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.265 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.17 68.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.952 0.406 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mt -62.71 -17.76 61.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.583 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.46 12.54 5.43 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.95 153.2 10.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 111.717 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.48 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . . . -89.58 176.86 6.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.836 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HB2' ' CB ' ' A' ' 40' ' ' GLN . 1.8 mp -99.88 -67.59 0.85 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.834 0.349 . . . . 0.0 110.827 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.413 HG23 ' HB2' ' A' ' 40' ' ' GLN . 0.7 OUTLIER 170.86 153.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.705 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -44.69 -39.66 5.29 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.379 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -73.08 -34.31 66.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.798 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.482 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 1.3 mp0 -70.72 -54.27 12.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.183 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.18 -38.33 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.27 -37.02 85.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -57.05 -56.19 24.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.442 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.419 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 2.3 t80 -61.05 -35.15 76.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.045 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -68.13 -35.46 78.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.723 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.79 -36.91 84.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.7 mt -58.3 -57.39 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 mt -63.74 -46.08 87.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.717 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -57.58 -32.49 67.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -68.83 -28.0 66.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.361 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -33.32 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.992 0.425 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -63.58 -56.38 16.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.734 -179.245 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.488 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.79 -20.63 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.78 -179.383 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.7 m -101.68 22.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 0.0 111.255 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 26.3 t0 -95.98 162.2 13.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.907 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -81.28 -31.38 33.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.05 97.58 10.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.73 86.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.22 -32.49 72.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.5 t -57.8 -49.73 75.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -53.33 -33.92 55.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.273 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -68.79 -41.94 78.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.049 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.427 ' O ' HD22 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -70.22 -44.82 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.473 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 2.4 mtt -53.79 -32.76 53.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.53 -30.64 57.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.012 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -37.99 83.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.981 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -75.23 -22.78 57.65 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.836 179.765 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.52 26.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.96 16.84 18.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.984 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' CZ ' HG13 ' A' ' 26' ' ' VAL . 23.3 t80 -60.81 140.85 57.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.24 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 53.72 64.16 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.381 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.9 m -107.19 155.75 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.09 95.8 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.794 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -151.43 156.47 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -90.06 132.2 35.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.425 ' HB ' ' CE2' ' A' ' 95' ' ' PHE . 16.5 t -81.56 160.06 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.06 163.62 32.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.55 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.496 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -61.74 146.16 50.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.143 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.45 -31.12 7.02 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.92 -158.1 0.22 Allowed 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.99 164.19 37.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 0.0 111.383 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.4 t -134.27 122.76 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.51 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 8.4 p -96.02 114.14 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 111.376 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 42.5 t -91.22 115.52 30.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.047 0.451 . . . . 0.0 110.383 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.8 mt -50.2 -18.38 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 2.0 t70 -103.84 -42.76 5.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.258 0.552 . . . . 0.0 109.522 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.541 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.01 -173.51 21.85 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.656 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -178.04 106.64 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.976 0.417 . . . . 0.0 111.256 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.425 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 91.0 m-20 -113.46 45.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.33 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -169.49 149.43 3.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.315 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.56 114.19 3.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.413 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -122.64 126.73 48.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.448 ' CE1' ' N ' ' A' ' 96' ' ' LYS . 8.6 t-80 -61.95 145.86 51.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.964 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.425 ' CE2' ' HB ' ' A' ' 77' ' ' VAL . 75.2 t80 -123.25 -26.64 4.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.466 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.448 ' N ' ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -179.37 142.62 0.18 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.649 0.261 . . . . 0.0 110.939 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 47.94 -90.67 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.5 m-20 -136.08 6.37 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.569 0.223 . . . . 0.0 111.167 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.5 mt -86.0 119.71 26.6 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 33.7 m -111.88 174.44 2.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.341 0.591 . . . . 0.0 111.822 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.3 mt -116.55 123.33 47.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.015 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 117' ' ' CYS . 21.9 t -106.77 136.39 19.43 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.169 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.425 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 5.2 Cg_endo -47.69 123.65 8.57 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.609 2.206 . . . . 0.0 111.632 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.411 ' HB3' ' CG2' ' A' ' 116' ' ' ILE . 11.0 tp -121.46 -51.72 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.847 -178.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.534 ' O ' ' HA ' ' A' ' 115' ' ' THR . 4.5 m -151.69 123.7 8.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.931 0.396 . . . . 0.0 111.915 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 49.5 m -114.74 111.92 22.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.828 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -134.71 149.67 50.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.4 t -111.9 134.3 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.2 t -134.27 122.89 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.77 -62.57 2.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 176.18 47.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.58 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -163.84 130.15 3.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 2.1 mtt180 -72.76 116.11 12.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 6.7 m -114.86 95.93 5.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.366 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.541 ' HB ' ' HA2' ' A' ' 88' ' ' GLY . 85.0 m -96.96 152.05 19.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.881 0.372 . . . . 0.0 110.697 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 104' ' ' LEU . 3.1 tt -122.88 141.68 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.875 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 102' ' ' VAL . 80.7 m -133.09 139.11 46.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.26 136.23 42.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.809 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.496 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 2.5 t -86.3 113.49 24.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.72 0.295 . . . . 0.0 110.283 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.71 145.41 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.993 0.425 . . . . 0.0 111.564 -178.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 152.31 39.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.13 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.57 145.45 25.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.962 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.01 -165.04 1.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.687 0.279 . . . . 0.0 111.04 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -52.86 52.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.68 -29.44 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.1 m -74.43 -28.84 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.784 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt 61.01 155.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.81 29.11 18.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.95 -41.75 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.73 147.45 52.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.4 p -88.4 -179.03 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.998 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.69 -24.88 9.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -31.23 66.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.746 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -64.77 -40.09 94.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.661 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -70.68 -30.06 66.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.394 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -73.31 -30.66 63.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.727 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 107' ' ' LYS . 1.3 t80 -63.21 -48.4 78.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.202 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -62.8 -33.65 75.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.454 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.46 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 13.4 m -57.4 -33.92 68.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.46 -25.8 57.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.293 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.5 t -68.33 -48.73 71.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.96 0.409 . . . . 0.0 110.214 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.86 -25.98 67.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.625 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.408 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 2.0 t0 -71.45 -28.49 64.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.165 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.2 m -51.25 171.56 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.766 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.7 ' HB2' ' HB ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -111.96 -39.55 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.425 -179.522 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.16 140.17 49.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.988 0.423 . . . . 0.0 111.283 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.67 107.32 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.724 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 10.0 mmt-85 -136.93 172.49 12.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.84 144.05 38.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.406 ' CB ' ' HB3' ' A' ' 87' ' ' ASP . . . -59.58 -39.13 83.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.717 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.9 ptp -58.46 -26.6 63.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.718 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -157.63 67.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.98 -24.77 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -95.12 12.52 28.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.592 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.53 118.76 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 111.491 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.29 177.57 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 5.0 mp -85.63 -67.04 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 111.006 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.25 154.98 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.684 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -42.26 51.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.719 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.05 -34.52 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.668 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.437 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -62.58 -56.84 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.92 -31.23 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.765 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.31 94.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.627 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.06 -53.89 52.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.276 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.42 ' CE2' HG23 ' A' ' 86' ' ' ILE . 21.9 t80 -58.35 -33.79 69.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.163 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.406 ' CG ' ' HB3' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -61.94 -35.18 77.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.382 179.461 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -76.48 -30.22 57.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.3 mt -56.06 -61.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.051 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' ' 48' ' ' LEU . 1.8 mt -68.54 -41.21 80.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.981 0.42 . . . . 0.0 110.415 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.404 ' HB2' ' HG ' ' A' ' 68' ' ' LEU . 1.3 t30 -58.29 -40.36 81.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.604 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -67.2 -27.45 67.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.093 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -33.29 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.036 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 1.0 OUTLIER -64.05 -56.48 14.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.99 -179.018 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -49.18 -25.18 2.06 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.205 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -104.34 22.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 111.42 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -85.73 154.25 21.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.587 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -68.75 -56.77 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.16 99.64 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.82 -26.04 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.31 -38.56 71.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.231 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -75.72 -36.87 59.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -55.54 -36.75 67.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -58.58 -36.78 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.174 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -48.9 31.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.197 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -36.77 74.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.814 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.449 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.18 -36.74 71.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 -179.653 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.92 -40.57 39.29 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -63.31 -27.41 69.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.725 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' HG ' ' HB2' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -73.32 -30.43 63.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.942 179.074 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.62 -20.43 55.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.515 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.03 16.9 17.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.59 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.406 ' HB3' ' CG ' ' A' ' 45' ' ' ARG . 26.4 t80 -57.27 137.32 56.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.306 . . . . 0.0 111.074 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.1 68.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.3 m -106.99 155.78 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -82.82 96.77 8.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 24' ' ' ARG . 17.2 pt20 -155.56 139.62 16.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.15 147.24 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.076 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.7 ' HB ' ' HB2' ' A' ' 24' ' ' ARG . 1.9 p -131.04 123.81 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -111.72 -158.41 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.695 -179.762 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.558 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -67.7 149.66 49.71 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.07 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.12 -31.5 7.3 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.245 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.427 ' HB2' HG23 ' A' ' 77' ' ' VAL . 58.6 m-20 -91.46 -169.68 2.38 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -140.01 156.68 46.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.073 0.463 . . . . 0.0 111.722 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.4 t -122.39 119.5 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.353 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 p -92.98 119.64 41.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 111.35 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 4.0 t -93.88 116.04 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.42 HG23 ' CE2' ' A' ' 44' ' ' TYR . 6.9 mt -56.52 -19.96 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.921 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.406 ' HB3' ' CB ' ' A' ' 29' ' ' ALA . 7.1 t0 -100.85 -43.43 6.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.429 . . . . 0.0 109.847 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.489 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.59 -173.29 22.13 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.4 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.417 ' CB ' HG22 ' A' ' 115' ' ' THR . 3.7 mt -177.88 122.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.15 41.78 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.02 158.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.36 131.87 52.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.582 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -146.07 129.01 16.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.966 0.412 . . . . 0.0 112.025 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -62.72 138.1 58.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.378 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.431 ' CE2' HG13 ' A' ' 77' ' ' VAL . 70.5 t80 -127.43 -2.6 6.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.245 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.422 ' HD3' ' CD2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -155.33 -167.61 2.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.643 0.258 . . . . 0.0 110.633 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -43.6 12.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.858 0.361 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -146.08 -15.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.921 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.59 129.21 37.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.669 0.271 . . . . 0.0 110.782 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.572 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 17.1 m -111.0 -176.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.213 0.53 . . . . 0.0 111.592 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 93' ' ' ALA . 93.2 mt -127.88 123.56 35.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.223 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.46 132.87 20.54 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.005 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.86 123.59 8.71 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.446 2.097 . . . . 0.0 111.676 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.478 ' HB3' HG21 ' A' ' 116' ' ' ILE . 11.0 tp -121.72 -51.77 2.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.663 -179.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 115' ' ' THR . 2.9 m -148.54 123.44 9.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.837 0.351 . . . . 0.0 111.603 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 92.8 m -118.6 120.97 39.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.991 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 17.3 mttm -156.1 122.15 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 112' ' ' SER . 2.3 p -81.8 135.81 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.734 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.4 t -126.98 114.69 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.96 -10.2 69.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.669 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.57 0.01 6.27 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.071 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.463 ' N ' ' CG2' ' A' ' 108' ' ' VAL . 19.1 m -125.85 130.71 51.9 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.099 0.476 . . . . 0.0 111.437 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -57.76 146.79 30.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.494 -179.771 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 6.0 t -140.77 93.62 2.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.445 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.489 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 92.4 m -96.94 141.11 30.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.192 0.52 . . . . 0.0 111.462 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.478 HG21 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -118.19 134.37 62.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.035 178.431 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 63.5 m -130.78 139.63 50.24 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.46 133.95 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.764 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.2 t -81.62 115.41 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.833 0.349 . . . . 0.0 110.625 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.53 148.25 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.235 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.48 147.26 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -118.94 127.07 53.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.92 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.87 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 119.793 -0.146 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 t 41.23 67.97 0.48 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 110.228 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.41 23.26 12.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.3 m 45.57 38.54 4.02 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.75 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.66 -54.57 4.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.16 77.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.59 166.63 12.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.5 mt -128.07 128.92 45.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.0 p -71.52 173.57 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.37 -24.89 61.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -57.71 -36.92 72.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.089 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.41 -52.18 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 51.4 m-85 -70.87 -26.52 63.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.768 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -32.62 70.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 68.1 t80 -64.98 -39.56 93.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.903 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -39.66 90.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.481 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -36.77 65.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.143 0.497 . . . . 0.0 109.892 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.13 -38.47 51.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.312 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.24 -59.32 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.105 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.0 mt -57.23 -22.58 42.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.941 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.95 -32.6 65.35 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.621 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.9 p -44.03 164.19 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.856 0.36 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -98.09 -26.66 14.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -152.8 143.44 22.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.661 ' HB ' ' CG1' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -129.73 137.65 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.026 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -151.61 -175.66 5.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.758 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -104.6 131.22 52.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.015 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.452 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -58.34 -43.81 88.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.952 0.406 . . . . 0.0 110.357 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtt -53.24 -25.39 14.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.789 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -166.28 73.86 0.17 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.424 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.8 OUTLIER -67.88 -17.91 64.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.479 -179.542 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -86.55 12.45 10.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.602 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.43 132.55 0.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.817 0.341 . . . . 0.0 111.256 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.11 177.5 4.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.002 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 40' ' ' GLN . 2.7 mp -91.67 -67.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.379 . . . . 0.0 110.997 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 175.62 154.01 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -45.79 -36.6 5.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.333 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.98 -34.41 61.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.48 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.84 -59.06 3.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.996 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.2 t -56.17 -40.78 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -42.84 92.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -57.17 -44.16 83.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.379 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -70.59 -34.8 72.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.3 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -66.84 -35.28 79.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.725 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.9 -34.09 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.5 mt -61.45 -60.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.65 -49.53 74.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.656 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -54.67 -32.15 58.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -69.27 -28.31 66.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.282 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -68.73 -33.37 73.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 111.037 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -64.55 -56.45 13.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.727 -179.177 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -55.99 -33.56 64.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.739 0.304 . . . . 0.0 111.543 -179.268 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 50' ' ' ALA . 10.5 m -94.43 22.28 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.501 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 35.4 t0 -90.67 161.66 15.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.752 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -79.38 -31.56 42.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.85 100.0 12.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.19 86.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.76 92.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -71.39 -38.32 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.3 t -51.49 -54.5 26.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -33.86 26.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -70.43 -52.22 23.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -38.09 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.837 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.453 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.26 -32.16 64.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.43 -41.46 24.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 109.965 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.4 mtmt -64.31 -27.32 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.837 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.93 -31.27 62.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.989 179.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.43 -25.84 38.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.343 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.98 17.15 24.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.422 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -65.23 129.39 39.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.246 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . . . 71.7 39.19 0.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.471 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.3 t -107.06 146.29 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.861 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -69.41 103.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -126.19 142.87 51.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -63.83 109.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.7 t -95.58 139.15 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -134.33 -160.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.426 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -82.81 148.54 27.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.247 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.65 -31.06 7.53 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.448 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -82.6 -166.96 1.43 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -146.79 155.3 42.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 111.415 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.0 t -112.44 116.23 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.96 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.661 ' CG1' ' HB ' ' A' ' 26' ' ' VAL . 8.5 p -92.27 111.06 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 110.997 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 4.8 t -88.25 136.57 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.057 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.426 ' CG1' ' HA ' ' A' ' 28' ' ' SER . 19.7 pt -73.01 -16.9 17.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.714 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -102.97 -44.59 5.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.973 0.416 . . . . 0.0 110.013 179.204 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.488 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.72 -173.15 21.94 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.237 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.454 ' HB3' HG23 ' A' ' 115' ' ' THR . 12.0 tp -177.99 106.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.953 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.69 44.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.69 156.65 0.89 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 30.6 ttm -57.87 142.82 44.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -155.91 122.6 5.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.496 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -63.6 152.42 38.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.991 0.424 . . . . 0.0 110.798 179.671 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -115.61 -34.74 4.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.584 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' ASP . 2.6 pttp 178.85 143.99 0.13 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.708 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 52.93 -85.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.09 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -138.95 1.69 2.08 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.0 mt -74.51 119.43 18.69 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -114.23 137.76 46.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.192 0.52 . . . . 0.0 111.496 -179.227 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.8 mt -98.16 123.91 42.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.5 t -110.53 137.11 20.62 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -48.11 123.73 9.22 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.669 2.246 . . . . 0.0 111.96 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.7 tp -120.9 -44.32 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.568 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 115' ' ' THR . 54.2 m -160.72 133.4 6.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 111.763 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 95.3 m -124.57 121.29 34.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.779 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 43.2 mttt -140.34 131.02 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.9 t -93.65 140.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.53 114.74 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.36 36.03 69.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.9 28.35 64.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -140.03 118.73 12.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -65.2 147.38 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.1 t -140.53 97.65 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.488 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 89.9 m -104.87 140.74 37.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.3 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.418 ' N ' HG22 ' A' ' 115' ' ' THR . 0.0 OUTLIER -122.17 142.06 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.797 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 83.6 m -132.42 138.36 47.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.177 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -69.22 141.32 54.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.873 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.4 t -89.49 102.83 13.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.104 0.478 . . . . 0.0 110.775 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -122.1 138.44 52.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.693 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.26 135.94 42.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.965 0.412 . . . . 0.0 111.181 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -80.13 157.03 26.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -123.3 -84.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.525 0.202 . . . . 0.0 110.467 179.569 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.4 p -70.61 -43.89 68.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 110.2 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.34 -24.0 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.574 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.7 m -128.03 48.64 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.381 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -49.45 93.07 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.27 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 53.6 38.85 29.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.283 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 66.08 66.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.974 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -62.97 141.54 58.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.53 173.98 12.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.797 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.76 -26.57 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' HA ' ' CG ' ' A' ' 15' ' ' GLN . 31.9 p-10 -57.91 -31.84 67.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.32 -45.72 90.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.101 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 2.0 m-85 -64.83 -26.79 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' CG ' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -81.03 -37.15 29.59 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.395 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' CD1' ' HD3' ' A' ' 107' ' ' LYS . 21.9 t80 -62.23 -54.14 45.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.047 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.7 OUTLIER -60.02 -36.41 77.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.142 0.496 . . . . 0.0 110.007 179.42 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.475 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 39.9 t -63.68 -30.75 71.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.42 -26.47 51.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.759 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 17' ' ' LEU . 6.1 m -69.7 -30.05 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.146 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.467 ' N ' HG21 ' A' ' 20' ' ' VAL . 10.3 mt -70.04 -23.47 63.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -36.32 72.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.287 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.5 m -46.66 169.52 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.004 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.53 -45.24 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.559 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.17 140.22 49.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 111.282 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.412 HG12 ' CE1' ' A' ' 71' ' ' PHE . 21.9 t -118.56 107.22 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.952 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' NE ' ' HA ' ' A' ' 27' ' ' ARG . 1.2 mmp_? -141.52 -178.75 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -123.46 153.38 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.29 95.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.1 mmt -56.35 -27.0 54.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.96 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -155.93 71.01 0.72 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.9 -18.36 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.321 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.66 12.65 19.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.39 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.27 115.67 5.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 111.357 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.87 177.54 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 40' ' ' GLN . 4.1 mp -94.17 -67.0 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 172.33 160.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -46.46 -50.12 17.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.362 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -34.42 78.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 6.5 mm-40 -67.85 -55.52 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 ' CG1' ' CB ' ' A' ' 72' ' ' ALA . 44.6 t -58.96 -43.46 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.98 92.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.7 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 47' ' ' ILE . 13.4 mm-40 -57.15 -51.84 67.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.152 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.414 ' CE2' HG21 ' A' ' 86' ' ' ILE . 8.9 t80 -61.28 -36.0 78.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.318 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -64.43 -33.71 76.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.801 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -73.1 -25.76 60.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 43' ' ' GLN . 32.5 mt -64.01 -60.9 2.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mt -64.1 -47.36 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.495 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -57.96 -30.79 66.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.645 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -69.25 -28.0 65.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.292 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.8 t -70.74 -33.33 70.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' CD1' ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -63.72 -56.47 15.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.695 -179.286 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.488 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -53.0 -21.81 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.816 -179.277 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.5 m -101.64 22.21 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.649 0.261 . . . . 0.0 111.208 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -91.34 166.55 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -29.42 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.04 99.23 10.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.03 -46.52 88.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.13 93.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -67.37 -40.44 85.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.9 p -60.41 -56.63 19.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.98 -33.9 26.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.318 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -61.51 -45.25 95.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.652 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -36.2 74.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.479 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.425 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 2.6 mtt -54.81 -37.22 65.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.115 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.97 57.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.301 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -71.01 -30.97 67.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.285 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 tt -76.53 -23.85 53.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.868 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.34 25.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.915 0.388 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.19 17.03 22.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CE1' HG12 ' A' ' 26' ' ' VAL . 24.1 t80 -70.82 132.88 45.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.868 0.366 . . . . 0.0 111.18 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . 59.29 55.66 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.526 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.0 t -107.21 153.66 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -69.35 108.49 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -169.49 144.68 3.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.68 141.65 30.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.442 ' CG2' ' CE2' ' A' ' 95' ' ' PHE . 24.7 t -81.44 154.51 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.545 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.57 165.4 26.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.471 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.55 144.11 56.46 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.166 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.39 -31.16 7.34 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.96 -160.42 0.32 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.84 155.12 42.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.006 0.431 . . . . 0.0 111.595 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.2 t -118.23 118.95 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.257 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.6 p -92.65 122.98 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 0.0 111.538 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.2 t -101.54 116.22 44.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.271 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.414 HG21 ' CE2' ' A' ' 44' ' ' TYR . 7.1 mt -57.61 -17.96 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.626 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -101.02 -44.21 5.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.127 0.489 . . . . 0.0 109.946 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.481 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.81 -163.33 25.01 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.138 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.9 tp -177.92 106.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.958 0.408 . . . . 0.0 110.976 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.15 35.7 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.62 173.09 2.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 24.2 ttp -84.68 130.91 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -137.74 145.63 42.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -75.35 152.38 38.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.897 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.442 ' CE2' ' CG2' ' A' ' 77' ' ' VAL . 69.9 t80 -126.72 -17.96 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.791 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -151.63 -167.61 2.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.046 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 -41.82 6.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.059 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -145.96 -6.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.54 119.74 19.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.787 0.327 . . . . 0.0 110.313 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.458 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -110.18 155.35 11.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.459 ' HB3' ' HB2' ' A' ' 117' ' ' CYS . 5.5 mt -116.04 124.03 49.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.905 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 36.2 t -109.54 137.6 20.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.89 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -47.77 123.69 8.74 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.708 2.272 . . . . 0.0 112.12 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.7 tp -121.18 -45.16 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 115' ' ' THR . 54.7 m -160.88 128.91 4.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.027 0.442 . . . . 0.0 111.721 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 98.2 m -122.52 118.42 28.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.771 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.436 ' HD3' ' CD1' ' A' ' 16' ' ' PHE . 0.9 OUTLIER -139.71 138.44 35.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.928 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.21 136.93 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.232 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.17 114.98 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.035 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.5 49.7 48.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 60.42 28.5 67.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.404 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m -142.41 125.41 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.337 . . . . 0.0 111.022 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 148.27 48.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 17.5 t -140.65 101.43 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.481 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 86.9 m -108.13 141.24 40.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.418 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -122.32 141.97 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 82.2 m -133.6 136.65 45.01 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.985 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.15 143.85 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.995 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.468 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 10.5 t -91.38 104.3 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.963 0.411 . . . . 0.0 110.72 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.88 139.68 51.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.906 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.44 124.3 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -69.13 101.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.913 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.806 0.336 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.63 -48.66 53.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -58.7 -26.39 63.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -32.09 73.49 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 20' ' ' VAL . 64.1 t80 -71.45 -36.86 71.38 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.993 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -68.25 -42.44 79.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.453 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -54.72 -33.52 61.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.217 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -38.77 52.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.37 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.049 HG13 HG21 ' A' ' 84' ' ' VAL . 91.8 t -61.16 -54.46 34.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.116 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.696 HD22 ' HA ' ' A' ' 68' ' ' LEU . 15.9 mt -60.18 -27.3 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.991 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -28.31 61.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.512 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.672 ' SG ' HD11 ' A' ' 116' ' ' ILE . 93.7 m -49.48 156.49 0.62 Allowed 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -94.09 -28.47 15.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.8 ' HB3' HG13 ' A' ' 83' ' ' VAL . . . -118.03 140.25 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.03 0.443 . . . . 0.0 111.422 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.573 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 15.3 t -139.54 107.45 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.453 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.734 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -148.5 -175.52 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 -179.368 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.629 ' HB2' HD11 ' A' ' 86' ' ' ILE . 2.0 t -110.53 139.77 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -59.89 -46.26 89.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.494 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -26.07 16.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.682 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -161.73 78.22 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.352 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.734 HD23 ' HB3' ' A' ' 27' ' ' ARG . 13.1 mt -72.43 -34.63 67.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.473 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -81.1 -12.95 59.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.685 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.0 127.7 30.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 111.469 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . . . -66.96 177.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.753 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.505 ' N ' HD12 ' A' ' 36' ' ' LEU . 4.1 mp -95.46 -66.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -175.85 163.61 2.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.616 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -56.75 -43.39 80.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.637 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -34.53 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.623 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.429 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 1.6 mp0 -61.2 -57.36 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 37' ' ' THR . 40.1 t -55.85 -43.51 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.53 78.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.758 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -58.13 -55.08 39.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.529 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.526 ' HA ' HD12 ' A' ' 47' ' ' ILE . 41.8 t80 -60.91 -33.66 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.354 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -37.54 87.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.599 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.6 -30.79 69.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 44' ' ' TYR . 63.8 mt -58.48 -60.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' A' ' 17' ' ' LEU . 4.6 mt -68.06 -43.95 77.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.519 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -54.42 -34.41 61.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.843 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -73.21 -27.94 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -33.36 74.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.12 0.486 . . . . 0.0 110.411 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.802 HD22 HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -62.69 -56.51 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.62 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -53.82 -59.74 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.218 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 50' ' ' ALA . 2.7 m -53.51 -23.62 7.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.622 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -48.02 164.94 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.823 0.344 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -87.64 -33.36 18.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -91.1 98.42 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.76 -30.11 70.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.12 -47.15 63.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -65.14 -40.98 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 p -54.01 -35.91 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -43.18 95.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -60.22 -54.73 42.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.802 HD12 HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -70.28 -33.74 71.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.64 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -54.04 -36.64 63.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.37 -32.65 37.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.509 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.86 -30.72 70.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.276 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.696 ' HA ' HD22 ' A' ' 21' ' ' LEU . 6.7 tt -76.69 -29.56 56.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.615 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.38 -24.17 28.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.072 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.2 16.99 25.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.573 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 46.7 t80 -51.35 127.54 20.01 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.879 0.371 . . . . 0.0 111.18 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.8 44.82 6.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.5 p -92.91 152.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.27 112.24 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -150.58 155.9 40.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -84.94 123.41 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 78' ' ' THR . 29.0 t -81.54 159.27 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.497 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -153.34 162.81 40.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.294 -179.156 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.75 147.94 52.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.966 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.69 -31.03 7.18 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.195 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.07 -158.14 0.09 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.455 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 3.8 mpt_? -155.66 149.8 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.073 0.463 . . . . 0.0 111.568 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.8 HG13 ' HB3' ' A' ' 25' ' ' ALA . 48.3 t -110.03 117.77 55.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.931 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.049 HG21 HG13 ' A' ' 20' ' ' VAL . 14.1 p -92.51 118.05 37.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.442 . . . . 0.0 111.208 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.583 HG12 ' H ' ' A' ' 87' ' ' ASP . 5.7 t -98.04 130.26 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.982 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.629 HD11 ' HB2' ' A' ' 28' ' ' SER . 16.9 pt -68.58 -15.18 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.655 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -104.82 -44.67 4.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.296 179.564 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . 135.8 -171.49 22.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.439 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.726 HD23 ' SG ' ' A' ' 117' ' ' CYS . 14.5 tp -177.94 106.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.606 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.89 -23.85 17.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.415 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.96 156.94 25.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 0.0 111.16 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.663 ' HG3' HG22 ' A' ' 102' ' ' VAL . 1.2 ttm -66.49 142.99 57.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.626 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -148.81 142.02 25.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.593 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 47.3 t-80 -69.06 152.73 44.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.979 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.519 ' HB2' HD11 ' A' ' 101' ' ' LEU . 64.6 t80 -120.03 -36.62 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.724 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.89 160.63 0.66 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.439 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.4 t70 44.41 -86.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 96' ' ' LYS . 70.1 m-20 -149.09 18.23 0.97 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.612 0.244 . . . . 0.0 111.092 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.47 HD22 HG12 ' A' ' 119' ' ' VAL . 20.1 mt -92.09 127.07 37.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.363 . . . . 0.0 110.464 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.527 HG21 ' SD ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -110.24 142.83 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.315 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -100.6 124.19 45.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.676 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.663 HG22 ' HG3' ' A' ' 92' ' ' MET . 33.9 t -111.18 137.14 20.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.413 ' HD2' HG13 ' A' ' 102' ' ' VAL . 6.2 Cg_endo -48.24 124.31 10.24 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.781 2.32 . . . . 0.0 111.965 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.601 ' HB3' HG22 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -118.21 -51.61 2.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.641 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.5 m -153.82 128.56 9.41 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.067 0.46 . . . . 0.0 112.111 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 86.5 m -117.64 122.7 44.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.777 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 30.9 mttp -136.74 138.68 41.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.41 118.02 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.046 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.29 128.07 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.17 28.74 64.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.27 32.62 42.65 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -137.79 120.48 16.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 139.8 58.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 34.4 t -140.52 98.74 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.697 HG21 ' O ' ' A' ' 89' ' ' LEU . 90.8 m -102.03 143.35 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.157 0.503 . . . . 0.0 111.272 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.672 HD11 ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -121.26 139.27 48.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.105 178.758 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.726 ' SG ' HD23 ' A' ' 89' ' ' LEU . 61.0 m -131.98 140.89 49.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.113 0.482 . . . . 0.0 112.282 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.568 ' HB2' HD13 ' A' ' 104' ' ' LEU . 10.0 t0 -75.31 138.31 41.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.895 178.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.47 HG12 HD22 ' A' ' 99' ' ' LEU . 2.1 t -87.74 102.91 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 110.559 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.525 HG23 HG12 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -120.02 141.15 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.152 -179.295 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -74.61 126.54 31.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.072 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -52.07 60.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.405 ' CE2' ' OD2' ' A' ' 55' ' ' ASP . 28.7 m-85 -63.06 -26.63 68.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.26 -34.82 71.07 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.52 ' O ' HG13 ' A' ' 20' ' ' VAL . 30.1 t80 -61.69 -36.79 81.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.938 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.747 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -69.96 -33.48 72.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.378 179.459 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.79 -34.21 62.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.54 -48.08 17.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.998 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 17' ' ' LEU . 2.4 m -61.11 -45.76 97.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 CA-C-O 120.932 0.396 . . . . 0.0 110.468 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 67' ' ' LYS . 86.7 mt -66.33 -21.95 66.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.664 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.77 -36.69 50.29 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.474 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.476 ' SG ' HG22 ' A' ' 116' ' ' ILE . 1.3 m -44.29 153.58 0.14 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.4 -47.78 9.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.37 140.77 48.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 111.365 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.754 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.5 t -122.52 107.28 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.792 ' NH2' ' HB2' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -129.83 -175.66 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.58 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.424 ' HB2' HD11 ' A' ' 86' ' ' ILE . 43.8 t -109.7 147.06 33.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -70.99 -48.45 53.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -25.46 22.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.659 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -154.71 73.92 0.92 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.561 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' ' 27' ' ' ARG . 1.2 mt -74.36 -18.07 60.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.384 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -81.99 0.94 37.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.56 155.8 6.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.998 0.428 . . . . 0.0 111.551 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.792 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . . . -79.24 177.53 8.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.893 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.503 ' HB3' ' HG2' ' A' ' 40' ' ' GLN . 5.0 mp -96.54 -66.91 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.87 150.57 2.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.586 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 p -49.75 -45.27 49.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.973 0.416 . . . . 0.0 110.5 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -75.1 -34.43 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.543 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.503 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 1.6 tp-100 -57.74 -58.86 6.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.961 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.66 -32.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.945 0.402 . . . . 0.0 110.7 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.98 89.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -57.05 -56.38 22.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.492 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -64.92 -33.72 76.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.241 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.422 ' O ' HD11 ' A' ' 68' ' ' LEU . 1.6 mtm180 -63.1 -34.08 76.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.747 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -38.61 65.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.061 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.5 mt -52.27 -61.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.747 ' HB3' HD21 ' A' ' 17' ' ' LEU . 2.6 mt -59.05 -49.74 76.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 110.406 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.418 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 23.3 t-20 -54.68 -29.9 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.705 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.606 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -68.96 -28.22 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -70.18 -33.13 71.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.989 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.747 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.2 OUTLIER -66.63 -56.41 10.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.881 -179.133 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CD ' ' HA ' ' A' ' 50' ' ' ALA . 3.0 pt20 -54.46 -21.25 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 50' ' ' ALA . 2.7 m -94.98 22.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.696 0.284 . . . . 0.0 111.449 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD2' ' CE2' ' A' ' 14' ' ' PHE . 5.9 t0 -103.41 153.83 20.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.674 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -77.86 -35.54 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.042 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -81.14 99.11 8.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.23 86.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.27 78.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -65.22 -34.55 78.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -60.16 -49.28 78.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -51.78 -36.38 47.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -63.8 -48.89 75.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.7 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.21 -43.71 70.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.613 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.747 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -56.16 -37.85 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.37 -31.58 42.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.553 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -69.89 -33.21 71.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.372 179.567 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' ' 45' ' ' ARG . 2.3 tt -76.65 -24.97 53.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.755 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.55 -20.74 22.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.404 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.21 16.87 23.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.69 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.754 ' CE2' HG11 ' A' ' 26' ' ' VAL . 1.9 t80 -59.0 135.38 57.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.16 31.67 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.239 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.85 151.73 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.42 94.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -140.88 158.47 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.88 126.24 43.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.543 HG12 HG21 ' A' ' 119' ' ' VAL . 10.6 t -81.53 160.86 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.575 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.475 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -150.17 164.07 36.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.409 -179.212 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -61.31 145.73 50.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.04 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.64 -31.13 7.08 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -83.36 -158.13 0.28 Allowed 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.27 166.3 29.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.07 0.462 . . . . 0.0 111.588 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.588 ' CG2' HD21 ' A' ' 101' ' ' LEU . 64.3 t -132.29 121.84 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.217 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.535 HG13 HG13 ' A' ' 26' ' ' VAL . 7.7 p -92.85 131.43 39.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.061 0.457 . . . . 0.0 111.464 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.774 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.3 t -108.47 121.84 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.649 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.424 HD11 ' HB2' ' A' ' 28' ' ' SER . 1.8 pt -60.0 -19.34 17.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.801 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -102.04 -44.77 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.42 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.508 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.71 -170.36 23.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.629 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.462 HD23 ' SG ' ' A' ' 117' ' ' CYS . 2.8 tp -178.22 159.18 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.742 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -161.52 43.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -177.55 158.57 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.922 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -63.77 117.4 6.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.259 179.503 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -127.12 125.29 40.96 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.799 ' HA ' HG12 ' A' ' 100' ' ' VAL . 31.3 t-80 -55.76 149.42 14.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.968 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 96' ' ' LYS . 80.6 t80 -127.37 -30.24 2.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.407 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.45 148.13 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.732 0.301 . . . . 0.0 111.086 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.8 t70 46.67 -89.82 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.222 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' LYS . 57.3 m-20 -141.03 15.31 2.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.674 0.273 . . . . 0.0 111.146 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 121' ' ' LYS . 44.8 mt -98.69 124.59 43.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.168 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 94' ' ' HIS . 36.0 m -110.06 178.47 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.389 0.614 . . . . 0.0 112.05 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.588 HD21 ' CG2' ' A' ' 83' ' ' VAL . 18.3 mt -121.17 123.6 42.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.254 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.922 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.0 t -105.05 136.9 19.11 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.071 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.84 123.33 8.31 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.497 2.131 . . . . 0.0 111.422 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 104' ' ' LEU . 12.0 tp -118.91 -51.33 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.698 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.457 ' HB ' HG13 ' A' ' 116' ' ' ILE . 24.2 m -159.31 124.11 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.966 0.412 . . . . 0.0 111.624 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.586 HG23 ' OG1' ' A' ' 115' ' ' THR . 62.6 m -118.28 112.63 20.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.796 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 6.4 mttt -134.81 148.98 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.572 HG22 ' HA ' ' A' ' 113' ' ' ARG . 21.2 t -107.5 129.25 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.02 115.86 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 79.2 2.2 86.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.95 27.32 5.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.526 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.502 ' C ' HG13 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -139.54 119.74 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.572 ' HA ' HG22 ' A' ' 108' ' ' VAL . 0.1 OUTLIER -59.28 141.01 55.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 37.8 t -140.64 104.19 4.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.586 ' OG1' HG23 ' A' ' 106' ' ' THR . 96.4 m -109.16 141.47 41.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.923 0.392 . . . . 0.0 111.215 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.476 HG22 ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -122.19 142.29 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.323 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.541 ' HB2' HD22 ' A' ' 101' ' ' LEU . 75.6 m -134.94 138.73 44.34 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.9 139.03 50.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.773 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.543 HG21 HG12 ' A' ' 77' ' ' VAL . 2.7 t -87.82 114.37 26.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.794 0.33 . . . . 0.0 110.351 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.13 150.09 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.478 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.748 ' HA ' HD23 ' A' ' 99' ' ' LEU . 11.6 tppt? -74.44 146.46 42.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.063 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.038 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.823 0.345 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -52.07 45.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CE1' ' HA ' ' A' ' 52' ' ' LEU . 82.8 m-85 -70.18 -26.8 64.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -73.31 -34.22 65.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.19 0.519 . . . . 0.0 109.78 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.527 ' O ' HG13 ' A' ' 20' ' ' VAL . 70.4 t80 -61.75 -36.69 81.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.133 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.881 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -68.28 -33.6 74.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.619 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -35.92 68.21 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.64 -47.06 20.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.216 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.775 HG22 ' HA ' ' A' ' 17' ' ' LEU . 3.9 m -63.83 -33.31 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 CA-C-O 120.98 0.419 . . . . 0.0 110.496 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.034 HD21 HD12 ' A' ' 68' ' ' LEU . 45.0 mt -79.68 -13.76 59.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.816 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.42 -24.12 18.16 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.043 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.438 ' SG ' HG12 ' A' ' 84' ' ' VAL . 14.2 p -47.54 170.98 0.01 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.775 0.321 . . . . 0.0 111.105 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.821 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -107.66 -29.14 9.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.228 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.486 ' HB2' ' CG2' ' A' ' 77' ' ' VAL . . . -131.77 143.95 50.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 111.542 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.796 HG11 ' CE2' ' A' ' 71' ' ' PHE . 21.9 t -132.78 112.71 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.497 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.887 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -158.12 137.41 11.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.389 -179.448 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 p -69.62 143.13 53.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -58.12 -42.19 85.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mmt -51.92 -29.39 19.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.964 0.411 . . . . 0.0 111.012 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -152.94 66.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.887 HD23 ' HB3' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -64.1 -18.01 63.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.47 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.21 12.6 36.65 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.56 141.94 7.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.924 0.392 . . . . 0.0 111.587 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.81 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . . . -80.17 177.44 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.859 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HB3' ' HG2' ' A' ' 40' ' ' GLN . 5.1 mp -90.85 -66.93 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.621 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -171.73 167.27 6.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.693 179.657 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 m -57.1 -53.04 62.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.408 ' CE2' ' OE1' ' A' ' 40' ' ' GLN . 51.9 p90 -74.9 -34.28 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.421 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -55.28 -52.86 62.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.019 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 37' ' ' THR . 57.5 t -55.87 -42.33 70.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.816 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.31 83.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.09 -47.48 80.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.418 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.594 ' HA ' HD12 ' A' ' 47' ' ' ILE . 55.5 t80 -67.83 -40.57 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.106 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' HB3' HD23 ' A' ' 68' ' ' LEU . 23.2 mtm105 -63.1 -32.04 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.474 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -68.16 -33.38 74.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.55 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 44' ' ' TYR . 54.9 mt -58.51 -60.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.533 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.958 HD21 HG21 ' A' ' 109' ' ' VAL . 10.0 mt -64.13 -44.37 92.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.386 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.816 ' HA ' HD21 ' A' ' 52' ' ' LEU . 22.4 t-20 -52.45 -31.33 34.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.66 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.61 -27.96 58.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.525 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -73.37 -35.33 65.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.816 HD21 ' HA ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER -74.5 -53.24 9.86 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.876 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.598 ' HB3' ' HE3' ' A' ' 65' ' ' MET . 9.9 pt20 -46.41 -25.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -91.25 22.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 8.6 t70 -80.12 168.01 19.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.827 0.346 . . . . 0.0 110.702 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -69.74 -34.31 73.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -107.14 110.36 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.1 77.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.59 91.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -32.33 70.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.2 m -62.19 -38.33 88.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -38.91 84.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 -60.28 -40.08 89.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.521 HD12 ' CB ' ' A' ' 52' ' ' LEU . 1.1 mt -70.14 -36.8 75.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.598 ' HE3' ' HB3' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -59.4 -35.17 73.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.35 -33.37 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.331 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.491 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -67.93 -30.76 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.261 179.506 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.034 HD12 HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -76.4 -28.32 56.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.516 179.518 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.39 -25.09 33.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.036 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.778 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -104.84 16.84 25.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.249 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.796 ' CE2' HG11 ' A' ' 26' ' ' VAL . 15.5 t80 -60.86 130.6 47.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.72 66.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.055 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.778 HG13 ' O ' ' A' ' 70' ' ' ASP . 3.9 m -103.83 155.74 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -76.84 89.88 3.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -142.28 160.02 41.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -89.57 124.81 34.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.821 HG22 ' HB3' ' A' ' 24' ' ' ARG . 23.9 t -81.56 141.65 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.78 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.72 161.41 22.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.349 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.436 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.17 149.8 40.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.135 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.21 -31.15 6.17 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.02 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -75.1 -158.13 0.07 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.432 ' HG2' HD22 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -150.2 157.67 43.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.102 0.477 . . . . 0.0 111.4 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.587 HG23 HD21 ' A' ' 101' ' ' LEU . 92.6 t -126.99 119.73 53.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.334 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.614 HG12 HG22 ' A' ' 26' ' ' VAL . 10.0 p -92.72 118.74 39.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.234 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 27' ' ' ARG . 11.6 t -94.75 133.21 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.403 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mt -67.89 -17.97 23.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.714 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.626 ' H ' HG12 ' A' ' 85' ' ' VAL . 9.2 t0 -104.61 -43.91 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.85 0.357 . . . . 0.0 110.139 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.512 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.33 -172.88 22.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.669 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.874 ' O ' HG21 ' A' ' 115' ' ' THR . 14.6 tp -177.88 136.78 0.18 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.724 0.297 . . . . 0.0 110.487 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -140.46 48.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.717 0.294 . . . . 0.0 111.334 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.99 160.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.033 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.935 ' HG3' HG22 ' A' ' 102' ' ' VAL . 3.4 ttt -67.58 123.74 21.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.315 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -134.1 126.23 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.87 ' HA ' HG12 ' A' ' 100' ' ' VAL . 16.1 t-80 -60.11 145.28 47.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CE2' ' HB ' ' A' ' 77' ' ' VAL . 84.0 t80 -123.56 -27.45 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.398 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.61 144.42 0.17 Allowed 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.672 0.273 . . . . 0.0 111.169 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.56 -89.77 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.7 OUTLIER -139.66 11.34 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.641 0.258 . . . . 0.0 111.406 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 121' ' ' LYS . 43.0 mt -93.9 121.76 35.69 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.781 0.324 . . . . 0.0 110.197 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.87 HG12 ' HA ' ' A' ' 94' ' ' HIS . 28.8 m -110.11 175.23 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.288 0.566 . . . . 0.0 111.597 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.587 HD21 HG23 ' A' ' 83' ' ' VAL . 16.1 mt -118.2 123.33 45.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.127 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.935 HG22 ' HG3' ' A' ' 92' ' ' MET . 18.9 t -106.41 135.22 19.52 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.65 123.51 8.34 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.5 2.133 . . . . 0.0 111.468 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' A' ' 118' ' ' ASP . 3.0 tp -117.67 -51.75 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.987 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.1 m -156.04 128.53 7.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.936 0.398 . . . . 0.0 112.062 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 89.9 m -117.85 104.94 11.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.5 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 9.8 ttmt -121.71 125.93 47.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.31 137.3 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.958 HG21 HD21 ' A' ' 48' ' ' LEU . 14.9 m -136.4 117.49 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.231 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.3 44.39 95.1 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.98 26.81 74.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.558 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.09 140.63 45.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.316 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 11.7 mtm-85 -81.58 140.17 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 17.7 t -140.62 93.94 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.767 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.874 HG21 ' O ' ' A' ' 89' ' ' LEU . 89.2 m -99.67 144.8 28.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.085 0.469 . . . . 0.0 111.344 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.6 HG23 ' HB3' ' A' ' 104' ' ' LEU . 3.3 tt -122.65 137.23 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.38 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.723 ' SG ' HD23 ' A' ' 89' ' ' LEU . 66.2 m -128.33 142.22 51.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.657 ' HB2' HD13 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -75.21 141.65 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.816 178.645 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 4.1 t -93.39 110.7 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.797 0.332 . . . . 0.0 110.376 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.14 151.2 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.475 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.559 ' HA ' HD23 ' A' ' 99' ' ' LEU . 5.2 ttmt -74.56 150.66 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.976 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.902 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.792 0.329 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.411 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -63.93 -52.16 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.517 ' HE2' ' HA ' ' A' ' 52' ' ' LEU . 94.5 m-85 -72.77 -28.32 62.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.985 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -36.63 62.02 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -63.12 -36.55 83.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.092 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -63.59 -37.93 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.62 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -33.48 67.93 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -49.24 14.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.496 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.998 HG23 HG21 ' A' ' 84' ' ' VAL . 6.9 p -54.38 -30.48 21.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-O 120.822 0.344 . . . . 0.0 111.249 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.651 HD22 ' HA ' ' A' ' 68' ' ' LEU . 75.2 mt -85.46 -35.8 21.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.688 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -21.1 62.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.793 ' SG ' HD11 ' A' ' 116' ' ' ILE . 33.7 m -55.2 162.25 1.49 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.42 -31.92 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.28 145.07 50.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.943 0.401 . . . . 0.0 111.455 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 71' ' ' PHE . 22.5 t -132.4 107.4 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.729 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.898 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -140.04 -175.55 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.686 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.753 ' HB2' HD11 ' A' ' 86' ' ' ILE . 1.6 t -111.63 145.18 39.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -65.35 -41.77 93.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.591 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.52 -27.03 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.67 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -153.63 69.79 0.82 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.898 HD23 ' HB3' ' A' ' 27' ' ' ARG . 5.3 mt -70.65 -18.07 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -76.39 -27.65 56.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.504 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -142.56 144.19 32.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 111.61 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.59 177.53 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 37' ' ' THR . 4.7 mp -86.28 -66.79 0.86 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 176.28 165.85 0.43 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.726 179.53 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.6 t -55.35 -45.66 76.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.638 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -34.56 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.635 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.507 ' NE2' HD23 ' A' ' 36' ' ' LEU . 5.0 mm-40 -61.08 -46.0 92.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' THR . 28.7 t -71.75 -38.29 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.96 95.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.068 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -57.13 -39.39 75.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.593 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.876 ' HA ' HD12 ' A' ' 47' ' ' ILE . 14.0 t80 -74.99 -38.22 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.48 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HB3' HD21 ' A' ' 68' ' ' LEU . 33.4 mtm180 -59.52 -46.79 87.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.791 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.14 -32.81 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.399 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 44' ' ' TYR . 54.1 mt -58.22 -61.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.194 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.791 HD12 HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -68.83 -38.32 79.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.399 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.617 ' HA ' HD21 ' A' ' 52' ' ' LEU . 10.0 t30 -57.33 -33.19 67.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.149 0.5 . . . . 0.0 109.858 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . . . -71.12 -27.25 63.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.103 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -40.99 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.61 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.617 HD21 ' HA ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -76.24 -23.9 54.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.223 0.535 . . . . 0.0 110.978 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.514 ' HG3' ' CE ' ' A' ' 65' ' ' MET . 0.1 OUTLIER -49.71 -45.02 48.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.999 -179.754 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.26 22.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.136 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -73.81 139.84 45.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.766 0.317 . . . . 0.0 110.799 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -63.63 -31.08 72.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.97 101.1 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.32 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.42 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -33.99 73.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 t -58.86 -49.53 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -35.92 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.93 94.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.685 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 64' ' ' LEU . 2.1 mt -70.13 -34.25 72.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.526 ' HE2' HD11 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -65.44 -31.71 72.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.71 -39.46 27.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.482 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.637 ' HB2' HD13 ' A' ' 21' ' ' LEU . 13.7 mtpt -74.47 -37.94 63.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.319 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.824 HD23 ' O ' ' A' ' 68' ' ' LEU . 6.4 tt -76.89 -20.4 56.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.784 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -55.27 -27.53 47.21 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.744 ' CG ' HG22 ' A' ' 73' ' ' VAL . 5.7 t0 -109.69 -34.62 6.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.801 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CE2' HG11 ' A' ' 26' ' ' VAL . 5.0 t80 48.05 -85.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.752 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.543 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -88.34 89.19 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 111.024 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.744 HG22 ' CG ' ' A' ' 70' ' ' ASP . 3.2 t -103.19 140.23 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.7 89.88 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.742 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -134.22 139.82 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.71 122.71 17.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.771 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.562 HG21 ' CZ ' ' A' ' 95' ' ' PHE . 5.8 t -81.5 155.46 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.16 163.03 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.525 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.401 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -64.7 149.78 48.46 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.14 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -31.15 6.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.114 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.71 -159.97 0.32 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.414 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 4.2 mtm180 -148.65 156.43 42.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.11 0.481 . . . . 0.0 111.586 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.63 HG23 HD21 ' A' ' 101' ' ' LEU . 61.4 t -121.33 127.51 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.174 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.998 HG21 HG23 ' A' ' 20' ' ' VAL . 11.4 p -92.83 133.99 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.439 . . . . 0.0 111.601 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.59 HG11 ' HB2' ' A' ' 29' ' ' ALA . 4.1 t -116.14 111.87 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.747 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.753 HD11 ' HB2' ' A' ' 28' ' ' SER . 37.2 pt -53.93 -22.03 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.163 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.641 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 11.4 t0 -95.42 -44.19 7.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.068 0.461 . . . . 0.0 109.899 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.537 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.85 -173.52 21.8 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.335 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.843 ' O ' HG21 ' A' ' 115' ' ' THR . 3.9 mt -177.92 119.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.715 0.293 . . . . 0.0 110.573 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -126.11 40.88 3.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.344 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.439 HH11 HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -177.18 154.71 1.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.945 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.2 ttt -57.4 126.58 27.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.68 126.48 22.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.835 ' HA ' HG12 ' A' ' 100' ' ' VAL . 29.2 t-80 -55.27 149.02 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 91.4 t80 -129.2 -28.0 2.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.441 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' ASP . 16.9 ttpt 179.69 143.74 0.16 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.698 0.285 . . . . 0.0 111.167 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.58 -89.43 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.0 m-20 -140.01 15.14 2.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.683 0.277 . . . . 0.0 111.143 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.783 HD23 ' HA ' ' A' ' 121' ' ' LYS . 47.0 mt -97.78 125.0 42.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.18 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.835 HG12 ' HA ' ' A' ' 94' ' ' HIS . 30.7 m -109.95 177.92 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.388 0.613 . . . . 0.0 111.757 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.63 HD21 HG23 ' A' ' 83' ' ' VAL . 17.0 mt -122.25 123.39 41.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.235 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.945 HG22 ' HG3' ' A' ' 92' ' ' MET . 18.9 t -105.66 135.31 19.4 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.67 123.37 8.17 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.477 2.118 . . . . 0.0 111.604 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.614 ' HB3' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -119.81 -51.65 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.641 -179.116 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.4 m -154.61 123.74 6.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.113 0.482 . . . . 0.0 111.93 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.677 HG23 ' OG1' ' A' ' 115' ' ' THR . 21.0 m -116.4 111.03 19.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.764 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -131.71 119.94 22.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.57 120.16 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.068 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 m -116.09 121.6 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.33 -65.79 0.99 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.53 35.15 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.434 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.41 125.38 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 9.0 mtm180 -64.92 112.43 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.73 94.63 5.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.843 HG21 ' O ' ' A' ' 89' ' ' LEU . 99.3 m -96.86 142.56 28.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 110.841 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.793 HD11 ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -117.76 140.21 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.536 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.603 ' HB2' HD22 ' A' ' 101' ' ' LEU . 70.2 m -135.66 138.98 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.414 ' HA ' ' HG3' ' A' ' 82' ' ' ARG . 21.4 t0 -72.43 138.36 47.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.034 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 2.2 t -87.94 112.63 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.402 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.86 147.24 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 111.487 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.783 ' HA ' HD23 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -74.56 151.73 39.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.169 -179.73 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.956 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.47 -52.13 49.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -59.47 -26.95 65.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.731 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -73.43 -33.37 64.91 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.616 ' O ' HG13 ' A' ' 20' ' ' VAL . 78.0 t80 -63.31 -36.8 84.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.088 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.739 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.49 -40.34 96.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.221 179.529 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.4 m -54.89 -33.76 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.6 -46.38 22.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.166 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 16' ' ' PHE . 2.6 m -58.97 -46.11 91.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 120.838 0.351 . . . . 0.0 110.715 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.776 HD13 ' HB2' ' A' ' 67' ' ' LYS . 57.6 mt -66.81 -18.61 65.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.879 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -83.25 -28.62 29.05 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.736 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.462 ' SG ' HG21 ' A' ' 116' ' ' ILE . 78.0 m -46.22 170.12 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.854 0.359 . . . . 0.0 111.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.837 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -101.15 -52.21 3.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.233 -179.653 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.601 ' HB2' ' CG2' ' A' ' 77' ' ' VAL . . . -116.28 140.24 49.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 111.302 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -117.42 107.4 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.906 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 0.7 OUTLIER -135.47 174.75 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.407 ' O ' HD12 ' A' ' 32' ' ' LEU . 4.7 t -113.19 150.07 32.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.722 ' HB3' ' CB ' ' A' ' 87' ' ' ASP . . . -65.11 -48.11 74.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.638 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.65 -27.12 25.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.793 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.549 ' OD1' ' HB3' ' A' ' 34' ' ' ALA . 3.5 t-20 -158.85 75.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.586 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -76.02 -17.94 59.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.517 -179.552 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.01 12.43 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.52 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.549 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -178.19 140.34 0.22 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.799 0.333 . . . . 0.0 111.197 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.39 177.54 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD22 ' HG2' ' A' ' 40' ' ' GLN . 5.2 mp -90.84 -66.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.942 0.401 . . . . 0.0 111.007 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -171.9 160.21 5.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.717 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -45.86 78.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.442 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.08 -34.42 61.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.554 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.546 ' HG2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -58.66 -57.23 13.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.013 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 37' ' ' THR . 33.2 t -55.86 -34.99 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.051 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.14 89.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.46 ' O ' HG13 ' A' ' 47' ' ' ILE . 90.7 mt-30 -57.07 -45.22 83.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.386 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -68.72 -38.54 80.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.443 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -62.25 -32.53 73.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -27.13 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.615 HG22 HG12 ' A' ' 109' ' ' VAL . 9.8 mt -62.69 -61.05 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.739 ' HB3' HD21 ' A' ' 17' ' ' LEU . 3.2 mt -67.23 -35.91 80.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.681 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.19 -35.69 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.651 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -69.91 -27.92 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.029 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -33.17 73.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.046 0.45 . . . . 0.0 110.721 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.733 HD12 ' HG2' ' A' ' 65' ' ' MET . 1.0 OUTLIER -61.9 -56.69 16.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.823 -179.299 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -50.06 -25.32 3.32 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.23 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 50' ' ' ALA . 1.3 m -104.11 22.36 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.323 . . . . 0.0 111.445 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -87.79 164.58 15.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.691 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -79.91 -30.89 40.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -102.51 99.64 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.17 84.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.09 76.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -32.22 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -59.97 -39.86 87.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -52.1 -36.88 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -48.61 78.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.719 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.13 -34.26 72.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.733 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -64.71 -34.0 77.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 -179.744 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.7 -40.52 25.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.581 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.776 ' HB2' HD13 ' A' ' 21' ' ' LEU . 3.1 mtpp -72.93 -32.9 65.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.403 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 tt -76.91 -18.95 57.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.74 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -26.52 39.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.888 0.375 . . . . 0.0 110.992 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.705 ' CG ' HG22 ' A' ' 73' ' ' VAL . 3.8 t0 -111.51 -34.58 6.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.751 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 48.7 -84.24 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.98 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 70' ' ' ASP . . . -90.97 89.64 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.705 HG22 ' CG ' ' A' ' 70' ' ' ASP . 2.3 t -104.89 155.47 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.71 90.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -125.66 139.87 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.017 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.55 120.17 20.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.67 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.837 HG22 ' HB3' ' A' ' 24' ' ' ARG . 18.7 t -92.46 138.62 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -145.51 -159.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.419 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.461 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -77.08 143.99 38.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.234 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.37 -31.03 8.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.332 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -83.65 -158.04 0.28 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.1 156.61 33.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.13 0.491 . . . . 0.0 111.418 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.555 ' CG2' HD21 ' A' ' 101' ' ' LEU . 61.9 t -116.04 121.02 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.579 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 84' ' ' VAL . 8.2 p -92.76 119.14 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.993 0.425 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.612 HG11 ' HB2' ' A' ' 29' ' ' ALA . 2.7 t -98.16 121.72 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.873 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mt -56.88 -19.88 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.423 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.722 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -101.62 -44.17 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.111 0.481 . . . . 0.0 109.762 179.132 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.61 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.22 -170.93 23.05 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.371 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.833 ' O ' HG21 ' A' ' 115' ' ' THR . 19.2 tp -177.9 111.14 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 111.012 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.91 51.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.137 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.24 156.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.132 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.909 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -67.49 118.25 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -134.42 126.1 28.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.854 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.723 ' HA ' HG12 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -56.29 152.37 11.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.083 0.468 . . . . 0.0 111.22 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -122.83 -26.6 4.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.203 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 98' ' ' ASP . 22.5 ttpt 179.43 148.4 0.25 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.642 0.258 . . . . 0.0 110.77 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 49.1 -90.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 96' ' ' LYS . 27.9 m-20 -139.43 4.28 2.17 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 121' ' ' LYS . 21.3 mt -84.66 138.95 32.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.723 HG12 ' HA ' ' A' ' 94' ' ' HIS . 32.0 m -121.41 171.43 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.663 0.744 . . . . 0.0 112.428 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.555 HD21 ' CG2' ' A' ' 83' ' ' VAL . 21.0 mt -114.1 123.67 50.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.991 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.909 HG22 ' HG3' ' A' ' 92' ' ' MET . 20.8 t -109.75 136.13 20.36 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.288 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -47.9 122.87 7.74 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.586 2.191 . . . . 0.0 111.59 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 tp -124.3 -39.63 2.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.483 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.591 ' HB ' HG13 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -152.12 150.79 30.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.652 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.479 HG23 ' OG1' ' A' ' 115' ' ' THR . 86.3 m -147.81 106.72 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.434 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -130.51 133.87 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.061 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.574 HG22 ' CG ' ' A' ' 113' ' ' ARG . 20.9 t -100.4 141.8 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.71 HG11 HD22 ' A' ' 48' ' ' LEU . 20.9 t -142.47 115.39 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.223 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.21 29.08 69.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.51 5.27 84.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.814 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.523 ' C ' HG13 ' A' ' 108' ' ' VAL . 44.7 m -116.23 122.75 45.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.574 ' CG ' HG22 ' A' ' 108' ' ' VAL . 2.9 mtt-85 -70.19 148.94 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.9 t -140.59 93.21 2.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.66 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.833 HG21 ' O ' ' A' ' 89' ' ' LEU . 63.0 m -103.49 143.76 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.115 0.483 . . . . 0.0 111.365 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -121.3 141.96 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.365 178.225 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.691 ' SG ' HD23 ' A' ' 89' ' ' LEU . 84.7 m -131.91 133.67 44.83 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.74 136.11 50.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.092 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 78' ' ' THR . 2.1 t -86.4 113.68 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.777 0.322 . . . . 0.0 110.319 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.0 146.14 34.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.979 0.419 . . . . 0.0 111.555 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.67 ' HA ' HD23 ' A' ' 99' ' ' LEU . 3.7 ttmm -74.56 136.84 42.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.126 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.808 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -58.81 -50.37 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.403 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 6.4 m-85 -62.26 -26.61 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -34.25 74.73 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 20' ' ' VAL . 26.4 t80 -62.62 -36.73 83.71 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.827 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.646 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -68.36 -34.81 76.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.46 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.4 t -55.05 -36.54 65.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.23 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.05 -39.3 50.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.506 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.781 HG13 HG21 ' A' ' 84' ' ' VAL . 48.7 t -60.39 -52.08 65.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.914 0.388 . . . . 0.0 110.242 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 67' ' ' LYS . 5.7 mt -61.66 -20.04 62.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.012 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.66 -21.78 32.34 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.012 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 13.2 p -44.9 162.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 111.269 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.628 ' HB3' HG22 ' A' ' 77' ' ' VAL . 2.3 mpt_? -101.8 -30.81 11.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.64 144.45 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.354 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.575 HG11 ' CE2' ' A' ' 71' ' ' PHE . 40.7 t -121.82 127.69 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.735 ' HB3' HD23 ' A' ' 32' ' ' LEU . 4.7 mmt-85 -148.4 -176.04 5.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.589 ' OG ' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.95 139.38 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.75 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -66.06 -45.03 82.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.49 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -57.39 -26.29 60.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.723 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.72 66.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.653 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 27' ' ' ARG . 1.0 OUTLIER -70.78 -18.23 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.202 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -77.38 -4.02 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.486 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.93 136.43 1.52 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.819 0.342 . . . . 0.0 111.365 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.56 177.51 2.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.746 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 36' ' ' LEU . 4.1 mp -87.61 -66.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 111.076 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.23 149.99 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.609 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.18 -42.29 29.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -74.94 -34.53 62.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.482 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.527 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -60.23 -58.81 6.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.054 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.82 HG11 ' CB ' ' A' ' 72' ' ' ALA . 46.0 t -61.6 -37.59 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.71 79.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.738 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -57.16 -36.74 71.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.025 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.624 ' HA ' HD12 ' A' ' 47' ' ' ILE . 18.9 t80 -70.91 -35.01 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.995 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.417 ' HG3' ' CD2' ' A' ' 71' ' ' PHE . 10.7 mtp180 -62.87 -37.41 86.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.553 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -34.5 77.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.704 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 44' ' ' TYR . 77.7 mt -54.89 -60.96 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.646 ' HB3' HD21 ' A' ' 17' ' ' LEU . 8.8 mt -60.89 -37.82 83.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.222 0.534 . . . . 0.0 109.801 178.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.66 -35.59 72.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.38 -27.98 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.449 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.14 -33.42 75.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.519 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.886 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.04 -23.89 58.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.361 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -62.69 1.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.33 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -61.05 -19.36 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.62 -178.637 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' OD2' ' CZ ' ' A' ' 14' ' ' PHE . 14.3 t70 -47.93 148.73 1.56 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.775 0.321 . . . . 0.0 111.244 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -73.54 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.9 95.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.93 71.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.32 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -31.95 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.9 p -56.34 -44.75 80.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -52.39 -33.89 45.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.332 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -57.38 -47.44 81.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.886 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.22 -34.29 72.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.503 179.742 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.844 ' HG2' HD12 ' A' ' 52' ' ' LEU . 4.0 mtt -61.42 -30.05 70.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.5 -34.88 40.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.416 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HB2' HD13 ' A' ' 21' ' ' LEU . 6.9 mtpt -69.63 -30.04 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.164 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.414 HD11 ' O ' ' A' ' 45' ' ' ARG . 5.2 tt -76.76 -25.69 53.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.623 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.95 -30.9 62.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.49 16.88 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.225 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.583 ' HE1' HG12 ' A' ' 20' ' ' VAL . 24.7 t80 -71.11 139.54 50.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.362 . . . . 0.0 111.267 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.82 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 59.85 31.05 20.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.577 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 74' ' ' GLU . 92.9 t -100.49 155.76 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.858 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' HG12 ' A' ' 73' ' ' VAL . 11.0 mt-10 -69.16 93.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.917 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -123.61 148.33 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.74 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.52 120.52 21.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.03 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 24' ' ' ARG . 46.8 t -81.59 158.45 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.49 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -155.31 159.21 39.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.198 -179.278 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.83 149.86 46.05 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.156 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.08 -31.01 6.56 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.024 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -158.09 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.484 ' HB3' HG12 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -148.15 153.91 39.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.049 0.452 . . . . 0.0 111.67 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.404 HG23 HG22 ' A' ' 119' ' ' VAL . 46.2 t -114.93 119.97 63.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.32 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.781 HG21 HG13 ' A' ' 20' ' ' VAL . 14.5 p -95.91 127.29 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.994 0.426 . . . . 0.0 111.49 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.679 HG11 ' HB2' ' A' ' 29' ' ' ALA . 2.4 t -109.76 131.0 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.71 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 28' ' ' SER . 35.2 pt -70.6 -10.17 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 7.3 m-20 -109.21 -44.59 3.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.979 0.419 . . . . 0.0 110.184 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.489 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 135.91 -174.88 21.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.56 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.85 ' O ' HG21 ' A' ' 115' ' ' THR . 16.3 tp -177.92 106.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 110.649 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -99.59 -26.01 14.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.73 153.04 21.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.428 ' SD ' HG22 ' A' ' 102' ' ' VAL . 30.2 ttp -70.05 135.31 49.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -145.57 150.43 36.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.305 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.4 OUTLIER -83.73 152.5 24.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.947 0.403 . . . . 0.0 110.859 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.627 ' HB2' HD21 ' A' ' 101' ' ' LEU . 50.2 t80 -109.47 -30.97 7.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 98' ' ' ASP . 17.5 pttp 178.98 154.73 0.43 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.787 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.25 -88.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.029 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LYS . 12.0 m-20 -141.0 4.19 1.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.458 HD22 HG12 ' A' ' 119' ' ' VAL . 14.5 mt -74.62 119.57 19.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.585 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -110.18 137.66 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.066 0.46 . . . . 0.0 111.404 -179.414 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 95' ' ' PHE . 1.5 mt -97.73 123.72 41.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.478 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.428 HG22 ' SD ' ' A' ' 92' ' ' MET . 22.0 t -107.74 137.43 19.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.409 ' HD2' HG13 ' A' ' 102' ' ' VAL . 5.5 Cg_endo -47.41 123.57 8.13 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.689 2.259 . . . . 0.0 112.018 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.653 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.5 tp -118.71 -51.38 2.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.653 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.502 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.4 m -154.16 127.47 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.943 0.401 . . . . 0.0 111.819 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.466 HG23 ' OG1' ' A' ' 115' ' ' THR . 91.7 m -119.85 104.54 10.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.769 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.454 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -130.77 147.74 52.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.5 t -106.05 140.82 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' A' ' 48' ' ' LEU . 7.2 p -142.64 130.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.28 -62.06 3.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.12 41.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -163.82 133.37 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 146.11 49.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.0 m -140.51 98.56 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.199 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.85 HG21 ' O ' ' A' ' 89' ' ' LEU . 97.7 m -103.56 143.52 32.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 0.0 110.992 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.653 HG23 ' HB3' ' A' ' 104' ' ' LEU . 3.9 tt -122.73 141.69 42.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.998 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.615 ' SG ' HD23 ' A' ' 89' ' ' LEU . 61.0 m -134.21 138.1 44.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 112.057 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.16 148.81 50.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.867 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.458 HG12 HD22 ' A' ' 99' ' ' LEU . 2.4 t -97.1 103.05 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.031 0.444 . . . . 0.0 110.594 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -127.06 139.77 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.967 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -74.5 130.67 40.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.86 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.841 0.353 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.58 -52.14 66.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 38.5 m-85 -67.79 -26.87 66.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.711 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -34.02 66.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' O ' HG23 ' A' ' 20' ' ' VAL . 82.4 t80 -62.3 -36.77 83.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.06 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.614 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.3 -40.17 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.325 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -35.05 63.56 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.942 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -77.1 -37.83 53.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.231 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.632 HG13 HG21 ' A' ' 84' ' ' VAL . 45.4 t -64.83 -58.53 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.39 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 67' ' ' LYS . 42.9 mt -58.43 -23.5 57.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.839 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.21 -32.05 64.54 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.522 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 m -48.64 176.83 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.27 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.702 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -106.22 -62.96 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.26 140.06 49.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.754 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 1.5 p -124.19 126.32 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.073 0.464 . . . . 0.0 111.246 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.713 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -143.98 -176.49 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.534 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.445 ' N ' HD12 ' A' ' 86' ' ' ILE . 18.6 p -109.61 134.01 52.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.779 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.818 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -57.69 -43.99 85.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.764 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtp -54.82 -25.93 31.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.483 ' OD1' ' HB3' ' A' ' 34' ' ' ALA . 4.4 t-20 -155.65 67.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.572 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.713 HD23 ' CB ' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -68.37 -18.02 64.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.438 -179.755 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -88.34 12.42 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -178.61 141.6 0.21 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.918 0.389 . . . . 0.0 111.633 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.08 177.53 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.731 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.569 HD22 ' HG2' ' A' ' 40' ' ' GLN . 4.9 mp -85.31 -67.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.743 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.883 HG22 ' HB2' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -179.64 -177.28 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 178.653 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 37' ' ' THR . 1.3 m -55.8 -76.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.498 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.697 ' CE2' HG21 ' A' ' 37' ' ' THR . 38.0 p90 -52.79 -37.65 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.659 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.883 ' HB2' HG22 ' A' ' 37' ' ' THR . 0.0 OUTLIER -55.25 -59.01 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.452 HG11 HH21 ' A' ' 45' ' ' ARG . 87.4 t -56.97 -39.6 66.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.911 0.386 . . . . 0.0 110.648 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.51 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.783 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.15 -56.35 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.43 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.501 ' HA ' HD12 ' A' ' 47' ' ' ILE . 3.0 t80 -58.92 -36.68 75.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.245 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.624 HH21 ' HB3' ' A' ' 72' ' ' ALA . 37.5 mtt180 -63.83 -33.83 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.503 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.68 -30.89 64.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 44' ' ' TYR . 64.5 mt -57.81 -61.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.738 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.652 HD23 ' N ' ' A' ' 48' ' ' LEU . 1.5 mt -68.45 -42.11 79.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.465 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -61.16 -30.4 70.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.673 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -72.12 -27.91 62.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -68.43 -33.23 73.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.847 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.6 OUTLIER -61.98 -56.69 16.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.832 -179.277 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -49.31 -25.97 2.77 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 50' ' ' ALA . 1.8 m -105.06 22.33 2.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.745 0.307 . . . . 0.0 111.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 27.3 t0 -93.54 159.62 15.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.809 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -70.54 -45.71 64.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.82 94.73 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.81 -29.78 69.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -40.11 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -32.16 65.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.3 p -61.99 -48.93 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.069 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -53.42 -39.36 64.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.201 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -59.58 -40.85 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -70.3 -38.06 74.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.847 ' HG2' HD12 ' A' ' 52' ' ' LEU . 3.4 mtt -58.16 -31.37 67.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.046 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.48 -34.13 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.621 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HB2' HD13 ' A' ' 21' ' ' LEU . 14.5 mtmt -73.18 -33.04 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.353 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 45' ' ' ARG . 7.2 tt -76.81 -21.55 54.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.833 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.26 -25.49 34.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.257 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -103.39 17.03 25.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.266 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.754 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 28.4 t80 -63.46 129.84 41.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 111.378 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.624 ' HB3' HH21 ' A' ' 45' ' ' ARG . . . 66.53 36.14 5.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.621 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 74' ' ' GLU . 68.7 t -107.29 155.78 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.956 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.447 ' N ' HG12 ' A' ' 73' ' ' VAL . 1.8 mm-40 -69.37 91.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -118.5 139.64 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.771 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.33 111.84 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.702 HG22 ' HB3' ' A' ' 24' ' ' ARG . 48.0 t -81.45 157.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.475 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -154.74 160.1 41.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.333 -179.067 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -63.18 149.81 44.46 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.048 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.14 -31.22 6.44 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.18 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.44 -159.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -147.92 153.19 38.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.079 0.466 . . . . 0.0 111.512 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.68 121.64 68.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.279 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.732 HG13 HG23 ' A' ' 26' ' ' VAL . 1.5 p -92.77 126.27 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.49 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 29' ' ' ALA . 16.4 t -108.2 117.33 53.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.911 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.68 HD12 ' C ' ' A' ' 27' ' ' ARG . 2.3 mt -57.93 -16.24 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.511 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -103.08 -44.23 5.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.172 0.51 . . . . 0.0 109.925 179.296 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.495 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.21 -164.37 25.06 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.219 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.868 HD23 ' SG ' ' A' ' 117' ' ' CYS . 12.6 tp -177.85 107.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.952 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.41 41.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.67 157.05 1.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.614 ' CE ' HG22 ' A' ' 102' ' ' VAL . 23.2 ttm -73.73 126.41 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.642 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.59 149.61 44.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.634 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -82.18 152.67 26.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.985 179.695 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.702 ' HB2' HD21 ' A' ' 101' ' ' LEU . 17.3 t80 -110.96 -35.3 5.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.178 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' ASP . 10.6 pttp 178.95 162.48 0.76 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 44.84 -90.41 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.8 m-20 -145.89 12.53 1.27 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.62 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.763 HD22 HG12 ' A' ' 119' ' ' VAL . 13.4 mt -85.04 122.41 29.21 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.531 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -109.9 137.71 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.133 0.492 . . . . 0.0 111.467 -179.023 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 95' ' ' PHE . 0.6 OUTLIER -98.62 123.94 43.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.394 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.614 HG22 ' CE ' ' A' ' 92' ' ' MET . 19.1 t -108.41 131.75 21.56 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.103 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -46.88 123.38 7.2 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.152 1.901 . . . . 0.0 111.669 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.8 tp -121.83 -36.35 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.58 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' A' ' 115' ' ' THR . 42.4 m -163.15 150.85 13.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 111.458 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.662 HG23 ' OG1' ' A' ' 115' ' ' THR . 27.5 m -143.59 114.36 7.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.694 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.431 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 13.0 mttp -129.01 138.7 52.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.029 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.746 HG22 ' HG2' ' A' ' 113' ' ' ARG . 16.2 t -104.67 118.34 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.2 t -115.57 121.52 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.055 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.9 -75.68 1.68 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.567 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -165.26 30.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.424 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -149.14 132.47 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.746 ' HG2' HG22 ' A' ' 108' ' ' VAL . 5.8 mtm-85 -67.14 151.47 47.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 26.4 m -140.48 92.23 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.662 ' OG1' HG23 ' A' ' 106' ' ' THR . 87.7 m -100.36 141.53 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.277 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -123.54 141.97 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.7 178.414 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.868 ' SG ' HD23 ' A' ' 89' ' ' LEU . 41.6 m -132.13 135.22 46.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.988 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.09 147.07 51.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.221 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.763 HG12 HD22 ' A' ' 99' ' ' LEU . 3.1 t -94.97 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.952 0.406 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.428 HG23 HG12 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -125.91 141.17 46.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.841 -179.462 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 135.56 42.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.959 0.409 . . . . 0.0 111.028 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.971 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.761 0.315 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -60.78 -52.08 66.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.631 ' HA ' HD23 ' A' ' 17' ' ' LEU . 21.4 m-85 -62.5 -26.77 68.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -76.43 -30.66 57.5 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.03 0.443 . . . . 0.0 110.113 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 15.6 t80 -72.41 -54.07 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.696 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.953 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -60.67 -36.9 79.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.72 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.519 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 3.3 p -59.56 -32.86 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 109.817 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.36 -26.72 52.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.155 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.953 HG22 ' O ' ' A' ' 17' ' ' LEU . 4.4 m -70.28 -30.71 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.193 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 68' ' ' LEU . 5.2 mt -74.8 -23.45 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -80.37 -23.06 40.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.681 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.682 ' SG ' HG12 ' A' ' 84' ' ' VAL . 3.8 p -47.7 171.14 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.78 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.6 mpt_? -103.46 -24.45 13.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.502 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.619 ' HB2' ' CG2' ' A' ' 77' ' ' VAL . . . -139.13 142.81 38.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 111.423 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG11 ' CE2' ' A' ' 71' ' ' PHE . 40.7 t -126.2 111.6 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.821 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.757 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -143.03 -175.52 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.528 ' OG ' HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -113.67 141.18 47.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . -61.08 -52.83 63.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -25.77 17.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.958 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -151.83 72.95 1.04 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.566 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.757 HD23 ' CB ' ' A' ' 27' ' ' ARG . 1.3 mt -75.85 -17.97 59.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.341 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.29 12.47 13.9 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -172.99 160.76 4.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.898 0.38 . . . . 0.0 111.366 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.678 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -96.77 177.47 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' OG ' ' A' ' 28' ' ' SER . 4.1 mp -95.69 -67.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.676 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 40' ' ' GLN . 5.2 t 171.61 157.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.556 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -38.16 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.355 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -34.69 61.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.625 ' H ' HG23 ' A' ' 37' ' ' THR . 6.3 mm-40 -69.97 -55.68 8.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.04 -37.3 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.713 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.588 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . . . -65.33 -37.58 87.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.058 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -38.07 72.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.082 0.468 . . . . 0.0 109.994 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.886 ' HA ' HD12 ' A' ' 47' ' ' ILE . 9.6 t80 -75.91 -47.68 24.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.485 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.588 ' HG2' ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.98 -26.77 67.8 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.79 -30.35 56.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.699 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' A' ' 44' ' ' TYR . 36.2 mt -58.79 -61.26 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.792 HD12 ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -68.59 -36.78 79.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.686 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -56.92 -37.99 72.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.059 0.457 . . . . 0.0 110.101 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.658 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -68.67 -27.6 66.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.306 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.402 ' HA ' ' CG2' ' A' ' 54' ' ' VAL . 14.3 t -66.74 -33.24 75.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.883 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.817 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -66.88 -39.92 87.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.194 -178.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 2.7 pt20 -79.23 5.29 12.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 50' ' ' ALA . 2.0 m -124.21 22.27 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 111.243 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -97.02 170.85 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.811 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.34 -39.67 20.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -86.54 109.2 18.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.59 86.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.21 94.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -60.31 -50.67 72.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -52.03 -51.62 56.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.0 mtt85 -50.98 -33.76 26.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.0 -44.09 64.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.817 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.17 -38.27 75.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.564 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.649 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -56.73 -35.07 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.925 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.24 -33.98 43.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.15 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB2' HD13 ' A' ' 21' ' ' LEU . 2.2 mtmm -67.29 -28.34 67.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.021 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.792 ' CD1' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.46 -29.81 57.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.303 179.3 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.37 -25.62 59.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.82 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.632 ' OD2' HG11 ' A' ' 73' ' ' VAL . 37.3 t70 -100.53 16.85 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.432 ' CE2' HG11 ' A' ' 26' ' ' VAL . 31.3 t80 -62.61 131.44 49.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 111.179 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.71 34.43 23.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.358 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.632 HG11 ' OD2' ' A' ' 70' ' ' ASP . 9.3 p -74.66 155.98 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.081 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -69.22 96.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -143.79 144.39 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.784 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.12 134.09 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.78 HG22 ' HB3' ' A' ' 24' ' ' ARG . 48.9 t -83.79 155.71 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.701 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.444 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -146.78 157.91 43.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.115 -179.324 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 119' ' ' VAL . . . -61.39 149.26 38.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.144 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.53 -31.12 6.66 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.31 -158.14 0.15 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 158.28 39.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.208 0.527 . . . . 0.0 111.563 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.731 HG23 HD21 ' A' ' 101' ' ' LEU . 45.7 t -120.11 127.94 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.579 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.729 HG21 ' HB ' ' A' ' 20' ' ' VAL . 14.5 p -92.78 131.69 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.123 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.469 HG11 ' HB2' ' A' ' 29' ' ' ALA . 2.4 t -109.64 144.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.053 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 28' ' ' SER . 5.6 pt -81.82 -18.72 11.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.795 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.65 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 50.1 m-20 -105.82 -44.13 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.168 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . 136.26 -174.77 21.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.786 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.807 ' O ' HG21 ' A' ' 115' ' ' THR . 8.3 tp -178.02 115.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.706 0.288 . . . . 0.0 110.79 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.88 44.34 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.202 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.94 153.73 0.84 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.959 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.7 ttt -57.44 124.41 18.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.53 ' HB3' HD21 ' A' ' 89' ' ' LEU . . . -134.05 126.7 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.978 0.418 . . . . 0.0 111.959 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.79 ' HA ' HG12 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -60.03 141.89 54.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.155 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 95' ' ' PHE . 89.5 t80 -134.32 0.64 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.549 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 -167.63 1.53 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.725 0.297 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.42 -46.28 18.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.19 19.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.481 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.647 HD23 ' HA ' ' A' ' 121' ' ' LYS . 28.9 mt -108.34 123.2 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 94' ' ' HIS . 34.4 m -110.07 179.64 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.367 0.603 . . . . 0.0 111.869 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.731 HD21 HG23 ' A' ' 83' ' ' VAL . 14.5 mt -124.65 123.48 40.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.983 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.959 HG22 ' HG3' ' A' ' 92' ' ' MET . 17.0 t -106.09 136.82 19.27 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.036 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.69 123.35 8.16 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.513 2.142 . . . . 0.0 111.59 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.529 ' HB3' HG22 ' A' ' 116' ' ' ILE . 11.2 tp -122.97 -51.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.569 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.515 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.8 m -146.37 123.44 11.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.989 0.423 . . . . 0.0 111.607 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 m -117.43 121.41 40.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.782 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 22.7 mttp -146.09 135.13 22.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.741 HG22 ' HG2' ' A' ' 113' ' ' ARG . 11.8 t -100.1 142.61 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.954 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -142.61 122.79 10.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.035 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.74 34.18 85.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.26 28.55 57.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.401 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.547 ' C ' HG13 ' A' ' 108' ' ' VAL . 50.2 m -138.54 118.76 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.741 ' HG2' HG22 ' A' ' 108' ' ' VAL . 15.4 mtm180 -68.63 146.53 52.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 m -140.56 104.57 4.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.807 HG21 ' O ' ' A' ' 89' ' ' LEU . 98.1 m -108.09 141.17 40.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.125 0.488 . . . . 0.0 111.403 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.529 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -118.93 133.37 65.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.199 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.671 ' HB2' HD22 ' A' ' 101' ' ' LEU . 71.2 m -129.56 140.18 51.3 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.83 138.4 44.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.623 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.621 HG21 ' CG1' ' A' ' 77' ' ' VAL . 2.7 t -87.33 115.65 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.794 0.33 . . . . 0.0 110.33 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.98 149.11 30.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.266 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.647 ' HA ' HD23 ' A' ' 99' ' ' LEU . 28.2 ttmt -74.54 149.36 40.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.907 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -52.13 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.45 ' HA ' HD23 ' A' ' 17' ' ' LEU . 40.7 m-85 -59.01 -27.66 65.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.81 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -81.28 -33.42 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.335 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.522 ' HE2' HG22 ' A' ' 105' ' ' THR . 10.7 t80 -73.07 -54.2 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.558 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.988 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -59.48 -36.2 75.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.48 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.474 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -59.31 -33.96 71.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.152 0.501 . . . . 0.0 109.688 179.308 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.31 -24.38 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.089 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.988 HG22 ' O ' ' A' ' 17' ' ' LEU . 4.3 m -71.77 -29.53 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.347 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 68' ' ' LEU . 14.4 mt -76.45 -18.22 58.9 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -25.05 30.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.582 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.523 ' SG ' HG12 ' A' ' 84' ' ' VAL . 7.2 p -50.16 176.62 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.737 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -112.22 2.18 16.51 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.655 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.839 ' HB3' HG13 ' A' ' 83' ' ' VAL . . . -164.65 140.31 5.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.934 0.397 . . . . 0.0 111.576 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.576 HG13 HG13 ' A' ' 84' ' ' VAL . 11.9 t -131.27 107.39 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.589 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.674 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -157.76 134.01 9.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.391 . . . . 0.0 111.115 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.408 ' CB ' ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -65.6 145.19 56.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.242 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -58.42 -44.28 89.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.8 mmt -51.78 -31.0 25.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.717 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.513 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 68.4 m-20 -149.8 64.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.225 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -58.38 -19.64 37.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.618 -179.347 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -109.25 -14.26 14.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.502 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . . . -118.56 140.77 49.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 111.446 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.49 177.52 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.44 -66.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.432 . . . . 0.0 110.743 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.804 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER 176.57 168.59 0.49 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -51.37 -54.24 28.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.115 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 40' ' ' GLN . 55.3 p90 -74.96 -34.54 62.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.451 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 15.3 mt-30 -66.23 -40.18 90.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.328 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 37' ' ' THR . 89.1 t -66.75 -39.7 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 110.798 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.55 -28.01 69.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.519 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -57.02 -44.91 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.529 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.538 ' HA ' HD12 ' A' ' 47' ' ' ILE . 29.5 t80 -69.46 -42.16 75.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.433 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.58 ' HB3' HD21 ' A' ' 68' ' ' LEU . 15.4 mtm180 -59.66 -30.67 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.755 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -72.59 -31.59 65.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.803 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 44' ' ' TYR . 67.2 mt -58.4 -59.45 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD23 ' N ' ' A' ' 48' ' ' LEU . 3.3 mt -66.89 -44.89 79.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.748 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.1 -31.53 67.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.8 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -71.6 -27.98 63.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -33.17 74.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.87 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.856 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.6 OUTLIER -63.59 -56.44 15.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.078 -179.111 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -49.18 -25.55 2.3 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.007 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -103.5 22.27 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.719 0.295 . . . . 0.0 111.316 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 26.9 t0 -98.07 144.78 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.769 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -56.25 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 60' ' ' ARG . 40.6 m-20 -64.81 100.1 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.82 -48.54 68.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.97 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.175 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 4.5 mtt180 -63.16 -43.07 99.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 t -56.06 -33.24 64.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.195 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -63.33 -50.63 69.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.976 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.671 ' HG3' HD23 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -59.38 -32.4 70.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.201 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.816 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -69.79 -42.06 74.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.419 . . . . 0.0 110.149 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.856 ' HG2' HD12 ' A' ' 52' ' ' LEU . 1.8 mtt -58.36 -30.12 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.44 -36.71 33.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.023 0.44 . . . . 0.0 110.324 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.575 ' HB2' HD13 ' A' ' 21' ' ' LEU . 1.2 mtmm -72.16 -32.5 66.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.751 ' HA ' HD22 ' A' ' 21' ' ' LEU . 7.6 tt -74.46 -23.33 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.431 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.35 -31.28 61.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.993 0.425 . . . . 0.0 110.718 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.751 ' OD2' HG11 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -89.49 -34.6 16.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.419 179.649 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.406 ' CD2' ' HD3' ' A' ' 45' ' ' ARG . 45.2 t80 39.53 -92.24 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.963 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -110.89 58.01 0.62 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.9 0.381 . . . . 0.0 111.223 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.751 HG11 ' OD2' ' A' ' 70' ' ' ASP . 8.7 p -73.51 145.11 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.32 91.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.004 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -127.79 158.45 37.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.803 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -84.16 123.6 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.737 HG22 ' HB3' ' A' ' 24' ' ' ARG . 52.1 t -81.55 143.66 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.309 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.63 162.21 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.545 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 119' ' ' VAL . . . -63.3 147.82 50.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.999 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 -31.14 6.66 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -80.7 -158.05 0.18 Allowed 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.16 162.22 40.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.077 0.465 . . . . 0.0 111.367 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.839 HG13 ' HB3' ' A' ' 25' ' ' ALA . 44.9 t -124.3 126.12 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.628 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 84' ' ' VAL . 10.0 p -94.9 109.86 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.05 0.452 . . . . 0.0 111.394 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.676 HG12 ' H ' ' A' ' 87' ' ' ASP . 17.7 t -87.24 133.48 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.38 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.408 ' HB ' ' CB ' ' A' ' 28' ' ' SER . 3.4 mt -70.56 -9.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.676 ' H ' HG12 ' A' ' 85' ' ' VAL . 12.8 t70 -109.65 -44.38 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.413 . . . . 0.0 110.304 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.516 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.04 -176.84 19.99 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.563 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.894 ' O ' HG21 ' A' ' 115' ' ' THR . 15.3 tp -177.87 120.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.602 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -125.11 47.08 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 111.559 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.67 157.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.211 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.933 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.9 ttt -62.65 124.46 21.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.333 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.43 129.04 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.829 ' HA ' HG12 ' A' ' 100' ' ' VAL . 10.4 t-80 -57.09 144.44 34.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.88 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -124.92 -24.68 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.766 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.444 ' N ' ' CE1' ' A' ' 94' ' ' HIS . 3.7 ttpm? 179.73 135.99 0.11 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.72 -89.53 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.038 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -135.21 9.9 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.585 0.231 . . . . 0.0 111.196 179.624 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.565 HD22 HG12 ' A' ' 119' ' ' VAL . 13.0 mt -92.26 123.3 35.49 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 94' ' ' HIS . 30.8 m -109.87 177.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.382 0.611 . . . . 0.0 111.565 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.664 HD22 ' HB2' ' A' ' 117' ' ' CYS . 6.2 mt -124.52 123.44 40.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.197 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.933 HG22 ' HG3' ' A' ' 92' ' ' MET . 13.3 t -107.2 137.48 19.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.043 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -47.52 123.39 8.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.558 2.172 . . . . 0.0 111.661 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' A' ' 116' ' ' ILE . 7.1 tp -121.9 -51.86 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.708 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.522 HG22 ' HE2' ' A' ' 16' ' ' PHE . 2.8 m -152.51 123.69 7.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.089 0.471 . . . . 0.0 111.939 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 91.1 m -116.83 120.7 39.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.727 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 19.4 ttmm -144.37 131.29 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.683 HG22 ' HA ' ' A' ' 113' ' ' ARG . 16.0 t -96.99 134.97 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.0 t -138.38 121.37 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.084 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.91 6.39 85.56 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.81 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 99.41 26.31 8.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.61 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.603 ' C ' HG13 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -139.4 118.7 12.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.683 ' HA ' HG22 ' A' ' 108' ' ' VAL . 66.9 mtm180 -60.73 141.63 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.5 105.49 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.894 HG21 ' O ' ' A' ' 89' ' ' LEU . 92.5 m -107.73 144.21 35.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.118 0.485 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -119.45 134.12 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.033 178.474 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.664 ' HB2' HD22 ' A' ' 101' ' ' LEU . 92.2 m -128.87 139.98 51.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -177.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -73.73 140.96 46.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.684 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.655 HG21 ' CG1' ' A' ' 77' ' ' VAL . 7.3 t -89.71 112.12 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.931 0.396 . . . . 0.0 110.701 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.51 ' O ' HG22 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -134.8 141.98 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.382 -179.113 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.432 ' N ' HD23 ' A' ' 99' ' ' LEU . 0.5 OUTLIER -79.19 125.49 29.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -52.22 20.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.58 ' HA ' HD23 ' A' ' 17' ' ' LEU . 27.9 m-85 -66.7 -30.02 70.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.713 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -30.28 54.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.185 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.63 -54.06 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.505 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 64' ' ' LEU . 1.3 pp -57.85 -36.38 72.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.774 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.41 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 14.9 p -54.85 -40.26 69.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.125 0.488 . . . . 0.0 109.936 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.13 -26.21 52.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.246 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.89 HG13 HG21 ' A' ' 84' ' ' VAL . 70.2 t -62.42 -47.12 94.51 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.061 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 67' ' ' LYS . 43.2 mt -59.58 -23.91 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.021 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.15 -29.2 61.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.671 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.57 ' SG ' HD11 ' A' ' 116' ' ' ILE . 55.9 m -49.6 162.64 0.15 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.884 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -107.28 16.26 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.502 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' HB3' HG22 ' A' ' 83' ' ' VAL . . . -176.65 145.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 111.309 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.975 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 21.2 t -134.26 122.29 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.834 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 35' ' ' ALA . 7.3 mmt-85 -150.91 -175.84 5.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.515 ' CB ' HD11 ' A' ' 86' ' ' ILE . 19.7 p -113.18 134.63 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.77 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -57.67 -43.88 85.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.677 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.1 mtt -56.58 -28.2 59.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.832 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -158.37 73.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.491 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -76.48 -18.12 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.392 -179.595 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -5.38 43.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.47 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.14 134.25 6.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.761 0.315 . . . . 0.0 111.416 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.447 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . . . -63.46 177.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.61 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -75.35 -68.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.789 0.328 . . . . 0.0 110.268 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER 173.4 171.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.416 178.441 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.73 -64.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.131 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -72.87 -34.5 66.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.913 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.555 ' H ' HG22 ' A' ' 37' ' ' THR . 20.3 mt-30 -57.31 -52.7 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.583 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 37' ' ' THR . 64.0 t -56.03 -37.55 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.1 83.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.121 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -56.95 -56.29 23.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.419 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 47' ' ' ILE . 44.8 t80 -57.39 -33.63 68.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.171 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -65.12 -34.87 79.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.486 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -73.77 -33.1 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 44' ' ' TYR . 57.5 mt -54.95 -60.19 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.832 HD22 HG11 ' A' ' 109' ' ' VAL . 1.6 mt -63.83 -45.53 89.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.427 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 t30 -59.57 -29.91 68.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.744 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -70.14 -28.19 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.331 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -70.89 -33.34 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.408 . . . . 0.0 110.9 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.875 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -62.67 -56.48 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.72 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 2.6 pt20 -55.04 -20.66 9.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.952 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 50' ' ' ALA . 5.1 m -101.76 22.29 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.213 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' CE2' ' A' ' 14' ' ' PHE . 10.4 t70 -105.84 169.84 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -98.59 27.62 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.029 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.4 93.53 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.13 81.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.99 -50.51 22.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -65.52 -38.31 89.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 t -60.77 -57.36 13.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -51.05 -35.65 35.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.239 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -59.88 -44.44 94.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.695 HD12 HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.15 -38.86 75.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 179.771 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.875 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.9 mtt -55.59 -37.42 68.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.134 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.36 -30.94 42.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.6 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.716 ' HB3' HD13 ' A' ' 21' ' ' LEU . 1.5 mtpp -75.82 -37.31 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.71 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 68' ' ' LEU . 4.2 pp -76.78 -16.96 59.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -29.17 57.19 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.599 ' OD2' HG11 ' A' ' 73' ' ' VAL . 11.5 t0 -101.46 16.93 24.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.975 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 54.1 t80 -55.53 137.53 48.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.194 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.39 39.86 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.599 HG11 ' OD2' ' A' ' 70' ' ' ASP . 11.2 p -97.44 152.18 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -69.46 122.65 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.07 139.55 13.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.89 116.82 11.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.884 HG22 ' HB3' ' A' ' 24' ' ' ARG . 22.2 t -89.46 138.02 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.426 ' O ' ' HB ' ' A' ' 119' ' ' VAL . 0.1 OUTLIER -128.87 -163.32 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.518 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.41 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -83.05 149.45 26.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.371 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.91 -31.07 7.61 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.52 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.79 -158.03 0.16 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.77 148.97 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.08 0.466 . . . . 0.0 111.491 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 101' ' ' LEU . 60.7 t -105.51 123.47 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.208 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.89 HG21 HG13 ' A' ' 20' ' ' VAL . 11.9 p -92.7 115.81 32.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.039 0.447 . . . . 0.0 111.135 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.641 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.3 t -93.64 139.01 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.515 HD11 ' CB ' ' A' ' 28' ' ' SER . 2.9 pt -81.82 -5.93 9.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.669 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -114.17 -44.49 3.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.921 0.391 . . . . 0.0 110.154 179.537 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.492 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.98 -174.39 21.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.787 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.708 HD23 ' SG ' ' A' ' 117' ' ' CYS . 10.8 tp -177.99 145.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 110.356 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -146.36 42.73 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.202 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.75 157.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.966 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.0 ttt -59.89 127.69 33.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.569 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.16 125.25 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.821 ' HA ' HG12 ' A' ' 100' ' ' VAL . 5.2 t60 -54.83 147.84 14.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.039 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -126.54 -27.37 3.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.19 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.2 OUTLIER 179.22 144.92 0.15 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.631 0.253 . . . . 0.0 111.098 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.8 t70 46.54 -88.35 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.351 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' LYS . 12.8 m-20 -139.81 13.96 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.761 0.315 . . . . 0.0 111.266 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.654 HD23 ' HA ' ' A' ' 121' ' ' LYS . 53.1 mt -96.36 123.7 40.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.197 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.821 HG12 ' HA ' ' A' ' 94' ' ' HIS . 27.6 m -110.17 176.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.306 0.574 . . . . 0.0 111.864 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 83' ' ' VAL . 14.2 mt -121.77 123.62 42.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.966 HG22 ' HG3' ' A' ' 92' ' ' MET . 14.6 t -105.34 136.22 19.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -47.78 123.44 8.4 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.505 2.137 . . . . 0.0 111.36 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.572 ' HB3' HG22 ' A' ' 116' ' ' ILE . 2.4 tp -120.61 -51.7 2.15 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.9 m -151.2 123.66 8.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.973 0.416 . . . . 0.0 112.018 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 93.9 m -115.86 122.39 45.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.64 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -149.64 132.88 16.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.724 HG22 ' HG2' ' A' ' 113' ' ' ARG . 25.9 t -84.91 125.51 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.832 HG11 HD22 ' A' ' 48' ' ' LEU . 25.1 t -116.78 122.05 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.24 -69.33 1.1 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.595 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -170.66 35.54 0.17 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.405 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -158.09 129.69 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.314 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.724 ' HG2' HG22 ' A' ' 108' ' ' VAL . 1.9 mtp180 -59.55 144.88 46.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 10.4 m -140.54 106.16 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.608 HG21 ' O ' ' A' ' 89' ' ' LEU . 91.5 m -105.31 143.28 33.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 0.0 111.099 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.572 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -116.46 137.86 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.747 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.708 ' SG ' HD23 ' A' ' 89' ' ' LEU . 71.3 m -133.39 139.18 46.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.79 140.38 45.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.774 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.498 HG21 ' CG1' ' A' ' 77' ' ' VAL . 3.9 t -90.69 110.77 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.83 0.348 . . . . 0.0 110.401 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.5 144.01 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 0.0 111.439 -179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.654 ' HA ' HD23 ' A' ' 99' ' ' LEU . 16.5 ttmm -74.75 134.07 41.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.009 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.772 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.54 -52.04 62.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 55' ' ' ASP . 53.9 m-85 -72.87 -26.92 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -74.05 -36.83 64.41 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.209 0.528 . . . . 0.0 109.711 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' O ' HG13 ' A' ' 20' ' ' VAL . 79.9 t80 -60.05 -36.66 77.8 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.139 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.881 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -65.43 -36.07 82.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.291 179.516 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.0 t -54.87 -35.16 63.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -77.58 -47.81 18.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.142 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 16' ' ' PHE . 2.7 m -58.84 -47.25 89.96 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.358 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 83.9 mt -61.29 -22.2 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.87 -24.69 48.44 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.737 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.0 p -47.02 170.22 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.819 0.342 . . . . 0.0 111.196 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.797 ' HB3' HG22 ' A' ' 77' ' ' VAL . 7.1 mpt_? -104.35 -28.71 11.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.044 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -142.98 140.64 31.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.185 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.864 HG11 ' CE2' ' A' ' 71' ' ' PHE . 22.0 t -111.56 107.26 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.745 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -136.55 178.77 6.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.9 p -118.88 152.79 35.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.745 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.632 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -71.39 -34.39 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.4 mtt -55.91 -28.06 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.978 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -159.15 54.71 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.745 HD23 ' HB3' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -55.92 -22.32 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.502 -179.79 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -70.1 -10.82 60.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.646 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.25 175.14 13.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.96 0.409 . . . . 0.0 111.401 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.72 177.32 6.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.793 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 37' ' ' THR . 4.1 mp -96.01 -66.65 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER 177.49 160.91 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.784 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -53.28 -44.44 68.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.634 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -74.99 -34.55 61.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.659 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 3.8 mm-40 -59.46 -57.79 11.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.996 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.8 m -58.87 -34.0 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.556 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . . . -65.21 -38.6 90.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.497 ' O ' HG13 ' A' ' 47' ' ' ILE . 9.2 tp-100 -57.17 -43.06 82.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 110.067 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.418 ' HD1' HD12 ' A' ' 47' ' ' ILE . 22.8 t80 -75.75 -46.89 28.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.736 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.556 ' HG2' ' HA ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -58.35 -26.8 63.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -76.76 -33.6 58.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.712 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 43' ' ' GLN . 9.7 mt -55.46 -60.86 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.881 ' HB3' HD21 ' A' ' 17' ' ' LEU . 4.7 mt -65.85 -44.16 86.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.443 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.435 ' HB2' HD22 ' A' ' 68' ' ' LEU . 22.9 t-20 -56.97 -36.12 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.528 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 -28.02 64.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.692 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -33.34 75.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.578 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.767 HD22 HD12 ' A' ' 64' ' ' LEU . 3.7 mt -59.5 -53.94 52.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.419 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.429 ' H ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -46.48 -40.31 12.2 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.888 0.375 . . . . 0.0 111.269 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 m -93.75 22.38 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.667 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.408 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 38.1 t0 -88.19 155.82 19.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.642 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -71.43 -70.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.98 106.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.18 69.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.2 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.49 77.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.071 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -65.99 -36.32 82.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.8 p -56.22 -47.66 78.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -54.76 -38.83 67.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -62.0 -46.68 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.767 HD12 HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.08 -38.59 75.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.759 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.613 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.55 -38.72 75.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.53 -32.89 36.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -72.47 -35.89 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.581 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' ' 49' ' ' ASN . 2.1 tt -76.56 -22.08 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.995 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.54 48.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.252 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.552 ' OD2' HG11 ' A' ' 73' ' ' VAL . 0.8 OUTLIER -108.2 16.84 22.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.864 ' CE2' HG11 ' A' ' 26' ' ' VAL . 9.5 t80 -60.79 144.28 52.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.1 33.49 19.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.552 HG11 ' OD2' ' A' ' 70' ' ' ASP . 13.0 p -92.42 150.68 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 89.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.86 141.13 48.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.795 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.85 114.76 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 24' ' ' ARG . 48.7 t -81.46 151.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.677 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.06 160.26 40.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.269 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.57 148.56 45.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.136 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.78 -30.99 6.85 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -76.75 -158.0 0.1 Allowed 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.419 ' HG2' HD22 ' A' ' 104' ' ' LEU . 3.2 mpt_? -149.55 165.52 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 111.57 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.609 ' CG2' HD21 ' A' ' 101' ' ' LEU . 44.6 t -136.06 129.12 46.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.393 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 84' ' ' VAL . 10.7 p -95.84 116.08 36.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.0 111.53 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.0 t -89.15 110.02 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.469 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.9 mt -50.48 -23.96 2.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.775 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.632 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 28.9 t0 -96.57 -43.84 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.132 0.491 . . . . 0.0 109.86 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.491 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.09 -169.16 23.76 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.318 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.619 ' O ' HG21 ' A' ' 115' ' ' THR . 2.4 mt -177.92 146.34 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.599 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.22 33.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.253 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.37 156.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.048 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.902 ' HG3' HG22 ' A' ' 102' ' ' VAL . 1.7 ttt -52.72 126.1 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.754 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.35 124.7 20.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.829 ' HA ' HG12 ' A' ' 100' ' ' VAL . 29.7 t-80 -57.29 144.81 34.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.974 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -123.15 -29.77 3.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.246 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.53 ' HE3' HD12 ' A' ' 99' ' ' LEU . 23.8 pttt 179.35 149.02 0.26 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.727 0.299 . . . . 0.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.52 -90.03 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' LYS . 2.8 m-20 -140.8 12.5 2.27 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.581 0.229 . . . . 0.0 111.358 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.63 HD23 ' HA ' ' A' ' 121' ' ' LYS . 33.1 mt -95.66 123.81 39.39 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 94' ' ' HIS . 27.8 m -109.88 177.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.23 0.538 . . . . 0.0 111.634 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.644 HD22 ' HB2' ' A' ' 117' ' ' CYS . 15.6 mt -123.36 123.58 41.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.42 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.902 HG22 ' HG3' ' A' ' 92' ' ' MET . 16.4 t -105.32 137.25 19.21 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.49 123.52 8.15 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.69 2.26 . . . . 0.0 111.67 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.576 ' HB3' HG22 ' A' ' 116' ' ' ILE . 4.5 tp -123.74 -51.76 1.81 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.865 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.5 m -151.85 123.69 8.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 112.092 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.601 HG23 ' OG1' ' A' ' 115' ' ' THR . 14.6 m -118.98 118.17 30.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.8 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.424 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 13.9 ttmt -139.63 123.87 17.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.6 t -81.34 105.87 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.4 m -124.44 132.95 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.98 35.29 54.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.4 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 63.78 28.24 72.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.496 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 m -147.99 156.76 43.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 1.7 mtt180 -82.01 142.52 32.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 3.2 t -140.61 96.08 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.619 HG21 ' O ' ' A' ' 89' ' ' LEU . 89.0 m -103.17 144.71 30.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 111.069 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.576 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -121.36 137.92 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.769 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.644 ' HB2' HD22 ' A' ' 101' ' ' LEU . 71.4 m -133.78 141.64 47.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.469 ' HB2' HD13 ' A' ' 104' ' ' LEU . 31.3 t70 -72.45 139.93 47.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.773 178.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.71 113.7 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.857 0.361 . . . . 0.0 110.369 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.28 144.17 37.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.39 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.63 ' HA ' HD23 ' A' ' 99' ' ' LEU . 4.8 ttmt -74.44 147.53 41.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.88 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.795 0.331 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -52.16 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.756 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -65.1 -26.88 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -75.37 -38.17 60.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.202 0.525 . . . . 0.0 109.681 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.649 ' O ' HG13 ' A' ' 20' ' ' VAL . 27.7 t80 -62.85 -36.73 84.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.005 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.899 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.16 -39.87 94.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.234 179.4 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -54.64 -34.59 62.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -77.55 -47.37 19.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.998 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.676 ' HB ' HG21 ' A' ' 84' ' ' VAL . 2.2 m -61.81 -45.0 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 68' ' ' LEU . 57.7 mt -69.74 -20.22 63.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.734 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.96 -26.3 34.09 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.756 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 1.6 m -45.24 165.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -98.89 -9.45 24.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.863 -179.276 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.12 144.01 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.728 ' CG2' HG23 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -129.29 136.67 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 179.737 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.763 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -160.75 150.27 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.832 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.699 ' HB2' HD11 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -70.79 130.91 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 -179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.834 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -60.22 -34.18 73.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.499 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.4 mtt -59.48 -28.62 67.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.674 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -155.86 61.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.763 HD23 ' CB ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -57.93 -21.62 44.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.269 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 12.53 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.592 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.5 126.71 1.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.819 0.342 . . . . 0.0 111.413 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -85.79 177.47 7.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD12 ' H ' ' A' ' 36' ' ' LEU . 3.1 mp -84.63 -67.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.815 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.421 HG23 ' HB2' ' A' ' 40' ' ' GLN . 1.1 t 171.92 158.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.03 -51.76 9.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.239 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -34.43 76.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.04 -55.77 6.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.028 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.8 t -55.81 -38.78 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' HA ' ' NH1' ' A' ' 45' ' ' ARG . . . -65.4 -38.23 89.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.964 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -57.06 -49.68 75.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.524 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.498 ' HD1' HD12 ' A' ' 47' ' ' ILE . 19.1 t80 -65.13 -34.81 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.321 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' NH1' ' HA ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -65.34 -39.66 92.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.829 179.721 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.81 -33.33 73.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.785 HG21 ' HA3' ' A' ' 110' ' ' GLY . 62.2 mt -59.72 -58.75 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.899 ' HB3' HD21 ' A' ' 17' ' ' LEU . 11.0 mt -65.67 -42.66 91.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.487 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.462 ' HB2' HD22 ' A' ' 68' ' ' LEU . 2.2 t30 -56.62 -31.92 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.837 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -73.9 -27.69 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.057 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -33.35 75.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.849 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -64.09 -56.59 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.809 -179.262 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 1.5 pt20 -55.22 -58.17 8.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 50' ' ' ALA . 3.5 m -49.56 -27.05 2.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.5 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -55.02 169.61 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -105.48 27.36 8.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.184 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.41 85.71 2.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.028 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.08 -30.37 69.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.06 -47.97 40.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -35.33 60.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.185 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.6 p -59.15 -52.43 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.18 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 5.1 ptt-85 -50.98 -33.71 25.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.197 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 62' ' ' ARG . 3.2 mtp180 -62.99 -46.78 86.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.785 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.849 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.29 -35.46 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.745 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.823 ' HG2' HD12 ' A' ' 52' ' ' LEU . 1.8 mtt -56.93 -30.52 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.057 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.56 -35.37 34.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.825 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -71.11 -34.21 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.618 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.491 ' HA ' HD22 ' A' ' 21' ' ' LEU . 8.4 tt -76.92 -22.51 53.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.837 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.24 -26.01 37.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.738 ' CG ' HG12 ' A' ' 73' ' ' VAL . 1.2 t0 -111.58 -34.74 5.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 11.2 t80 39.55 -90.36 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.006 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.708 ' HB2' HG13 ' A' ' 26' ' ' VAL . . . -81.2 71.11 8.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.841 0.353 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.738 HG12 ' CG ' ' A' ' 70' ' ' ASP . 18.1 m -68.94 139.73 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.304 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -81.47 89.88 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -157.35 160.01 38.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.24 139.83 37.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.556 ' CG1' HG21 ' A' ' 119' ' ' VAL . 19.8 t -81.55 160.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.381 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.485 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -142.58 160.67 39.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.446 -179.235 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.469 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -61.43 145.31 52.13 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.183 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.13 7.04 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.423 ' HB3' ' HD3' ' A' ' 24' ' ' ARG . 24.3 m-20 -80.86 -158.14 0.19 Allowed 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 0.7 OUTLIER -154.76 157.65 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.165 0.507 . . . . 0.0 111.47 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.4 t -120.15 118.49 57.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.295 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.713 ' CG1' ' HB ' ' A' ' 26' ' ' VAL . 6.3 p -93.08 113.87 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 111.036 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.834 HG11 ' HB2' ' A' ' 29' ' ' ALA . 10.8 t -93.32 115.62 32.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.29 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.728 HG23 ' CG2' ' A' ' 26' ' ' VAL . 8.8 pt -55.32 -21.26 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.037 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.455 ' H ' HG12 ' A' ' 85' ' ' VAL . 2.7 t0 -97.58 -43.98 6.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 109.872 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.497 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.69 -173.26 21.88 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.088 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.829 ' O ' HG21 ' A' ' 115' ' ' THR . 2.7 mt -177.89 106.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -114.8 43.59 1.93 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.977 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.19 155.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.538 ' HG3' HG22 ' A' ' 102' ' ' VAL . 32.0 ttm -59.67 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.64 124.32 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 86.6 t60 -65.31 152.55 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -121.89 -34.94 3.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.926 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.77 153.58 0.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.647 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.9 t0 44.59 -87.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.122 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 96' ' ' LYS . 9.7 m-20 -141.86 13.19 2.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.466 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 99' ' ' LEU . 24.1 mt -88.33 119.79 29.09 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -114.18 141.25 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.428 -179.396 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 117' ' ' CYS . 22.4 mt -98.84 129.96 45.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.105 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.538 HG22 ' HG3' ' A' ' 92' ' ' MET . 24.5 t -115.71 138.25 23.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 102' ' ' VAL . 5.4 Cg_endo -47.68 123.57 8.45 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.737 2.291 . . . . 0.0 111.973 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.738 HD13 ' HB2' ' A' ' 118' ' ' ASP . 2.1 tp -119.97 -51.74 2.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.792 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.8 m -150.96 123.65 8.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.95 0.405 . . . . 0.0 111.941 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.715 HG23 ' OG1' ' A' ' 115' ' ' THR . 16.9 m -119.57 117.83 29.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.84 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 8.0 mttp -135.89 144.17 45.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.548 HG22 ' HG2' ' A' ' 113' ' ' ARG . 31.8 t -99.36 123.43 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.02 114.71 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.785 ' HA3' HG21 ' A' ' 47' ' ' ILE . . . 77.24 32.3 48.65 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.79 27.76 70.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.7 m -140.88 137.64 33.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.548 ' HG2' HG22 ' A' ' 108' ' ' VAL . 4.0 mtm180 -80.53 126.95 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -118.38 92.37 3.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.834 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.829 HG21 ' O ' ' A' ' 89' ' ' LEU . 90.8 m -96.89 142.98 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 111.056 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.543 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -123.77 137.65 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.435 178.799 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 67.4 m -129.91 141.15 50.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.026 0.441 . . . . 0.0 112.142 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.738 ' HB2' HD13 ' A' ' 104' ' ' LEU . 24.9 t70 -74.78 138.51 42.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.556 HG21 ' CG1' ' A' ' 77' ' ' VAL . 5.4 t -87.97 102.97 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.984 0.421 . . . . 0.0 110.647 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.13 140.3 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.129 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -74.71 119.1 18.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.78 0.324 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.29 -44.77 95.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CD1' HD21 ' A' ' 17' ' ' LEU . 2.5 m-85 -72.87 -26.73 61.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -28.66 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 109.999 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.818 ' O ' HG13 ' A' ' 20' ' ' VAL . 18.0 t80 -73.87 -54.29 8.31 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.525 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.843 ' O ' HG22 ' A' ' 20' ' ' VAL . 1.2 pp -63.7 -36.48 84.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.993 0.425 . . . . 0.0 110.229 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.545 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.8 t -64.38 -34.01 77.17 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -77.44 -26.34 51.44 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.82 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 17' ' ' LEU . 3.7 m -73.15 -32.95 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.049 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 67' ' ' LYS . 11.3 mt -66.72 -22.5 66.06 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.19 -33.01 71.2 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.084 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.8 m -45.49 169.69 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.53 -46.19 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.35 140.24 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.955 0.407 . . . . 0.0 111.259 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 21.7 t -120.48 107.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.922 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -138.94 175.75 9.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.08 150.78 28.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.683 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -67.46 -46.86 71.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.728 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.2 mmm -55.52 -26.14 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.726 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 31' ' ' ASN . 8.0 p-10 -155.71 71.95 0.77 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.51 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.922 HD23 ' HB3' ' A' ' 27' ' ' ARG . 1.1 mt -68.79 -18.9 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.47 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -91.42 12.51 20.38 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.1 134.96 0.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 111.447 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.83 177.56 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.774 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.58 HD12 ' H ' ' A' ' 36' ' ' LEU . 4.7 mp -77.15 -67.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.613 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.758 HG21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER 175.71 166.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.733 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.8 m -44.62 -68.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.868 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.758 ' CZ ' HG21 ' A' ' 37' ' ' THR . 41.4 p90 -53.62 -34.43 58.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.602 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.738 ' HB2' HG23 ' A' ' 37' ' ' THR . 0.9 OUTLIER -66.16 -58.63 5.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 111.475 -179.798 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 37' ' ' THR . 42.3 t -55.43 -41.32 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.61 92.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.704 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -53.45 57.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.157 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.464 ' HA ' HD12 ' A' ' 47' ' ' ILE . 7.4 t80 -59.32 -35.38 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.221 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HG3' ' CD2' ' A' ' 71' ' ' PHE . 15.8 mtp180 -63.5 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.88 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.11 -29.05 48.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 44' ' ' TYR . 57.6 mt -58.6 -61.16 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 48' ' ' LEU . 1.9 mt -65.74 -49.83 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.751 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.417 ' HB2' HD13 ' A' ' 68' ' ' LEU . 24.4 t-20 -53.43 -29.99 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -73.84 -27.88 61.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -66.54 -33.04 74.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 179.811 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.885 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -65.95 -56.73 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.018 -178.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -53.32 -55.11 27.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 111.675 -179.193 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.1 m -49.22 -26.52 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.62 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.91 171.2 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -97.18 -32.82 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.99 89.12 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.64 78.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.26 81.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.182 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -75.97 -37.27 58.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.082 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.7 t -62.42 -49.79 74.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.353 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.93 -33.75 25.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.303 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -69.16 -44.25 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.812 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.3 -42.61 71.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.885 ' HG2' HD12 ' A' ' 52' ' ' LEU . 1.6 mtt -54.18 -33.58 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.59 -31.0 47.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.367 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.33 -32.15 66.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.385 179.567 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.417 HD13 ' HB2' ' A' ' 49' ' ' ASN . 7.8 tt -76.84 -23.05 52.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.88 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.17 -23.85 23.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.258 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -105.5 16.79 24.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.223 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.461 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 34.3 t80 -58.21 136.37 57.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.832 0.349 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.02 44.37 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 p -97.51 153.14 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -79.9 118.89 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -161.96 154.55 19.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -83.45 130.23 35.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.456 HG21 ' CZ ' ' A' ' 95' ' ' PHE . 3.2 t -81.64 162.13 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.429 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -151.25 163.12 39.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.392 -179.158 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.88 146.35 53.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.306 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.86 -31.03 6.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.349 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -77.88 -158.16 0.12 Allowed 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.825 ' HG2' HD22 ' A' ' 104' ' ' LEU . 1.7 mpt_? -154.93 151.79 28.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.059 0.457 . . . . 0.0 111.624 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG23 HD21 ' A' ' 101' ' ' LEU . 87.9 t -116.13 123.95 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.241 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 84' ' ' VAL . 6.3 p -92.84 120.91 42.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.946 0.403 . . . . 0.0 111.365 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.631 HG11 ' HB2' ' A' ' 29' ' ' ALA . 5.7 t -101.09 110.73 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.506 HD12 HD11 ' A' ' 36' ' ' LEU . 4.2 mt -45.76 -27.76 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.813 -178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.683 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -94.51 -43.74 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.62 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.05 -172.16 22.46 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.228 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.502 HD23 ' SG ' ' A' ' 117' ' ' CYS . 22.1 tp -177.84 106.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.409 . . . . 0.0 111.098 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.476 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 14.0 m-20 -117.94 53.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.611 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.409 ' HD3' ' O ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -176.61 145.18 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -179.452 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.944 ' HG3' HG22 ' A' ' 102' ' ' VAL . 4.7 ttt -59.16 120.29 8.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.434 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -136.11 128.47 30.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.858 ' HA ' HG12 ' A' ' 100' ' ' VAL . 31.3 t-80 -59.87 147.92 36.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.776 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.456 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 66.1 t80 -123.47 -31.32 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.355 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.26 153.88 0.44 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.745 0.307 . . . . 0.0 111.165 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 46.65 -88.83 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.364 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 96' ' ' LYS . 58.3 m-20 -146.77 20.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.939 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.817 HD23 ' HA ' ' A' ' 121' ' ' LYS . 64.0 mt -104.03 125.69 50.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.279 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.858 HG12 ' HA ' ' A' ' 94' ' ' HIS . 24.8 m -110.26 173.15 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.444 0.64 . . . . 0.0 111.726 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.512 HD21 HG23 ' A' ' 83' ' ' VAL . 12.5 mt -116.64 123.38 47.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.107 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.944 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.6 t -108.84 138.71 20.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.794 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.476 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 4.6 Cg_endo -46.95 123.4 7.32 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.493 2.128 . . . . 0.0 111.634 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.825 HD22 ' HG2' ' A' ' 82' ' ' ARG . 7.9 tp -118.11 -47.18 2.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.492 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 115' ' ' THR . 23.3 m -163.6 129.44 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.032 0.444 . . . . 0.0 111.586 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.686 HG23 ' OG1' ' A' ' 115' ' ' THR . 87.0 m -121.49 115.97 23.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.812 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 11.3 mttm -138.14 145.69 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.6 HG22 ' HA ' ' A' ' 113' ' ' ARG . 20.9 t -111.71 130.37 65.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.6 t -127.89 117.72 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.41 -57.83 4.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 171.41 43.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.558 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.57 ' O ' HG13 ' A' ' 108' ' ' VAL . 21.3 m -153.62 135.55 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.6 ' HA ' HG22 ' A' ' 108' ' ' VAL . 7.8 mtm180 -77.58 109.41 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.989 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 23.1 t -107.42 103.51 12.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.686 ' OG1' HG23 ' A' ' 106' ' ' THR . 75.9 m -113.38 152.64 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 110.888 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.459 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -129.84 142.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.807 178.838 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.502 ' SG ' HD23 ' A' ' 89' ' ' LEU . 86.0 m -129.3 139.41 51.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.187 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.611 ' HB2' HD13 ' A' ' 104' ' ' LEU . 4.3 t0 -71.58 138.45 48.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.153 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.45 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 2.7 t -90.35 110.85 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.19 147.62 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.52 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.817 ' HA ' HD23 ' A' ' 99' ' ' LEU . 6.5 ttmt -74.62 152.41 39.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.024 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.974 -179.899 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.44 93.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 11.5 m-85 -71.56 -26.96 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.75 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -77.66 -29.4 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.344 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.537 ' HE2' HG22 ' A' ' 105' ' ' THR . 48.3 t80 -73.33 -54.29 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.502 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' A' ' 14' ' ' PHE . 1.8 pp -62.22 -36.23 81.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.368 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -59.16 -45.36 91.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.996 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' ASP . 76.8 m-20 -77.02 -14.37 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.623 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.063 HG13 HG21 ' A' ' 84' ' ' VAL . 4.5 t -73.98 -46.58 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.842 HD22 ' HA ' ' A' ' 68' ' ' LEU . 38.4 mt -57.93 -25.61 61.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.921 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 2.4 m-20 -61.89 -28.31 69.42 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.283 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 13.8 p -50.57 -179.06 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.139 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.786 ' HB2' HG22 ' A' ' 77' ' ' VAL . 1.4 mmt180 -109.38 -45.61 3.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.574 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.17 148.27 37.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 111.582 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.611 ' CG1' ' HB2' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -109.76 132.2 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.524 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.739 ' CZ ' ' HB2' ' A' ' 35' ' ' ALA . 6.2 mmt-85 -156.9 142.05 17.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.808 ' HB2' HD11 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -71.16 133.9 46.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.73 179.731 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.881 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -60.81 -41.69 96.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 110.345 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.3 mtt -54.82 -25.64 29.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.395 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.702 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 18.5 m-80 -147.74 58.53 1.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.228 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -26.15 5.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.529 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -101.64 12.62 36.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.612 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.702 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . . . -148.2 134.73 19.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 111.349 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.739 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -90.77 177.51 6.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.797 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.73 HD11 ' CD1' ' A' ' 86' ' ' ILE . 3.6 mp -95.39 -66.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 178.55 160.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.798 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -44.31 70.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.615 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -34.48 62.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.453 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 1.5 mp0 -59.91 -56.72 18.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.018 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.2 -34.05 52.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.47 84.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -57.12 -56.42 21.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.542 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.543 ' CE2' HG22 ' A' ' 86' ' ' ILE . 2.9 t80 -60.18 -34.95 74.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.493 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.613 ' CG ' HD21 ' A' ' 68' ' ' LEU . 2.9 ttp180 -61.56 -36.42 80.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.797 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -74.13 -28.97 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 44' ' ' TYR . 46.0 mt -56.73 -61.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.829 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.728 HD22 HG11 ' A' ' 109' ' ' VAL . 2.3 mt -64.79 -35.81 82.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.048 0.452 . . . . 0.0 110.01 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.422 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 16.2 t-20 -60.93 -44.18 97.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.493 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -59.07 -28.17 66.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.965 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -69.16 -32.95 72.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.113 0.482 . . . . 0.0 110.406 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 65' ' ' MET . 4.1 mt -64.85 -54.07 36.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.074 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -47.87 -26.37 1.66 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.38 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -100.26 22.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.872 0.367 . . . . 0.0 111.483 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -92.88 171.1 9.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.658 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -48.54 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.55 101.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.35 69.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.57 78.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.16 -36.7 61.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -57.27 -33.34 67.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -39.57 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -43.87 93.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -70.1 -41.36 74.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.592 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -59.33 -38.8 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.957 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.55 -35.84 33.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.388 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.525 ' CB ' HD13 ' A' ' 21' ' ' LEU . 29.7 mtpt -68.35 -30.44 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.28 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.842 ' HA ' HD22 ' A' ' 21' ' ' LEU . 4.5 tt -76.85 -27.08 54.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.563 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.15 -26.41 50.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.709 ' O ' HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -105.53 17.36 23.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.081 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.547 ' CD2' HG11 ' A' ' 26' ' ' VAL . 30.4 t80 -40.63 -70.56 0.1 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.894 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.611 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . . . -99.1 28.75 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 70' ' ' ASP . 14.6 p -58.99 150.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -76.18 89.81 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.659 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -133.95 160.11 38.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.49 139.14 30.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.979 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.786 HG22 ' HB2' ' A' ' 24' ' ' ARG . 16.9 t -103.43 140.36 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -140.03 -161.17 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.69 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.488 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -82.95 149.72 26.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.288 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.56 -31.17 7.77 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.422 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.427 ' OD1' HG21 ' A' ' 119' ' ' VAL . 2.3 p30 -90.49 -163.34 1.01 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -151.37 161.09 43.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.138 0.495 . . . . 0.0 111.781 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.545 HG23 HD21 ' A' ' 101' ' ' LEU . 97.6 t -113.48 125.92 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.411 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.063 HG21 HG13 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -92.65 124.38 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.322 179.639 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.1 t -106.94 125.39 63.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.054 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.808 HD11 ' HB2' ' A' ' 28' ' ' SER . 39.9 pt -69.99 -9.73 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.754 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.54 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -109.27 -44.79 3.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.96 0.409 . . . . 0.0 110.004 179.266 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.526 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.71 -171.21 22.77 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.55 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.758 HD23 ' SG ' ' A' ' 117' ' ' CYS . 9.8 tp -177.98 106.64 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.62 45.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.235 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? 176.49 159.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.03 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 145.02 47.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.75 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.17 122.93 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.802 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.417 ' CE1' ' CA ' ' A' ' 96' ' ' LYS . 34.5 t-80 -64.15 152.46 40.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CD2' ' HD3' ' A' ' 96' ' ' LYS . 29.6 t80 -125.7 -33.45 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.568 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.01 153.02 0.38 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.657 0.265 . . . . 0.0 111.192 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 46.16 -88.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.274 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 96' ' ' LYS . 58.5 m-20 -144.46 17.5 1.68 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.644 0.259 . . . . 0.0 111.275 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.608 HD22 HG12 ' A' ' 119' ' ' VAL . 15.2 mt -90.13 119.83 30.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 0.0 110.311 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.28 137.82 42.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.371 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.545 HD21 HG23 ' A' ' 83' ' ' VAL . 19.4 mt -93.93 123.79 37.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.229 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.0 t -109.09 137.27 20.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.76 123.41 8.33 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.575 2.184 . . . . 0.0 111.768 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.588 HD13 ' HB2' ' A' ' 118' ' ' ASP . 5.4 tp -113.73 -50.61 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.304 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.537 HG22 ' HE2' ' A' ' 16' ' ' PHE . 20.5 m -160.9 131.76 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 111.642 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 90.6 m -119.7 120.18 35.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.464 ' CB ' ' CE2' ' A' ' 16' ' ' PHE . 4.5 tttm -142.96 138.83 30.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.029 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.43 HG13 ' C ' ' A' ' 112' ' ' SER . 15.7 t -97.2 140.46 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.728 HG11 HD22 ' A' ' 48' ' ' LEU . 21.6 t -137.15 123.89 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.37 -62.46 2.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 177.95 39.48 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.43 ' C ' HG13 ' A' ' 108' ' ' VAL . 1.4 m -156.95 138.74 14.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.78 145.21 48.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 9.0 m -140.49 110.27 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.078 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.664 HG21 ' O ' ' A' ' 89' ' ' LEU . 87.9 m -115.01 141.09 48.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 111.198 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.815 HG23 HG23 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -117.33 142.44 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.758 ' SG ' HD23 ' A' ' 89' ' ' LEU . 66.2 m -134.01 135.82 43.66 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.588 ' HB2' HD13 ' A' ' 104' ' ' LEU . 17.5 t70 -71.26 141.43 50.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.697 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.608 HG12 HD22 ' A' ' 99' ' ' LEU . 10.7 t -91.18 103.03 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.008 0.432 . . . . 0.0 110.871 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -123.6 139.38 50.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.95 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -74.54 114.96 13.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.009 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.661 0.267 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.46 -52.85 63.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 110.799 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CE2' ' OD1' ' A' ' 55' ' ' ASP . 4.3 m-85 -73.3 -26.71 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.79 -35.49 70.02 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.581 ' O ' HG13 ' A' ' 20' ' ' VAL . 36.4 t80 -62.33 -38.78 90.79 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.912 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.647 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -62.69 -33.58 75.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.271 179.479 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -35.7 72.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.6 -45.27 25.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.452 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 16' ' ' PHE . 2.7 m -57.6 -44.3 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.08 0 CA-C-O 121.023 0.439 . . . . 0.0 110.745 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.758 HD21 HD12 ' A' ' 68' ' ' LEU . 2.7 mt -70.62 -20.41 62.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.058 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -90.04 -18.9 25.09 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.085 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.558 ' SG ' HD11 ' A' ' 116' ' ' ILE . 1.6 m -43.98 162.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.703 0.287 . . . . 0.0 111.221 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HG2' ' HB3' ' A' ' 81' ' ' ASP . 16.8 mmt180 -99.76 9.08 43.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.813 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.27 140.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 111.523 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.899 HG11 ' CE2' ' A' ' 71' ' ' PHE . 28.6 t -126.71 107.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.6 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.925 ' CZ ' ' HB2' ' A' ' 35' ' ' ALA . 1.2 mmp_? -142.03 -176.51 4.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.147 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.712 ' HB2' HD11 ' A' ' 86' ' ' ILE . 1.2 t -113.24 140.84 47.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.713 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -60.31 -45.75 92.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.809 0.337 . . . . 0.0 110.755 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -31.06 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.623 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -140.11 63.76 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.571 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.826 HD12 ' HB3' ' A' ' 27' ' ' ARG . 8.3 tp -76.94 -18.18 58.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.107 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.99 -26.44 60.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.933 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.15 144.3 24.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.208 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.925 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -69.16 177.41 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.597 HD11 ' CD1' ' A' ' 86' ' ' ILE . 2.7 mp -88.55 -66.85 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.455 HG23 ' HB2' ' A' ' 40' ' ' GLN . 0.1 OUTLIER 176.25 153.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.642 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -46.0 -41.88 12.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.69 -34.24 69.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.698 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HB2' HG23 ' A' ' 37' ' ' THR . 37.3 mm-40 -68.99 -58.31 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.593 HG12 ' HE ' ' A' ' 45' ' ' ARG . 33.0 t -55.82 -36.59 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.2 95.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.27 -44.75 84.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.283 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.516 ' HA ' HD12 ' A' ' 47' ' ' ILE . 39.9 t80 -67.16 -36.09 81.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.084 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.593 ' HE ' HG12 ' A' ' 41' ' ' VAL . 8.5 mtm180 -63.7 -43.07 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.577 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 2.3 t-20 -57.59 -32.86 67.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 44' ' ' TYR . 61.2 mt -61.34 -60.94 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.7 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.647 ' HB3' HD21 ' A' ' 17' ' ' LEU . 3.0 mt -63.39 -50.05 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.686 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 23.4 t-20 -57.16 -29.8 63.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.575 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -69.58 -28.19 65.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.28 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.485 ' O ' HG23 ' A' ' 54' ' ' VAL . 16.9 t -70.52 -33.22 70.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.909 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -66.78 -56.53 10.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.953 -179.1 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.414 ' CD ' ' HA ' ' A' ' 50' ' ' ALA . 3.3 pt20 -53.19 -23.14 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 50' ' ' ALA . 3.7 m -95.47 22.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.742 0.306 . . . . 0.0 111.361 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' OD1' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -104.31 137.78 41.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.804 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -59.32 -39.93 84.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.32 89.35 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.69 84.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 -46.73 89.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.182 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -54.52 41.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -56.29 -36.89 69.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -36.72 67.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.684 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.695 ' HG2' HD23 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -68.96 -37.15 78.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.7 0.286 . . . . 0.0 111.163 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.909 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -70.07 -43.41 71.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.029 0.442 . . . . 0.0 110.442 179.578 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.887 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.2 mtt -55.45 -31.65 62.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.094 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.36 -33.79 42.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.245 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -70.99 -30.76 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.108 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.758 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -75.41 -25.15 57.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.554 179.419 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.1 -22.88 30.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.37 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.564 ' O ' HG23 ' A' ' 73' ' ' VAL . 21.0 t70 -107.24 17.08 23.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.499 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.899 ' CE2' HG11 ' A' ' 26' ' ' VAL . 3.8 t80 -67.43 138.66 56.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 111.082 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.585 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 59.86 42.19 16.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.6 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 70' ' ' ASP . 57.3 t -107.12 154.8 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.91 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.436 ' N ' HG12 ' A' ' 73' ' ' VAL . 4.2 mt-10 -70.6 89.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.31 139.54 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.661 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.27 138.76 54.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 78' ' ' THR . 42.8 t -98.74 158.62 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.553 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.488 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -151.51 158.33 43.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.281 -179.221 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.19 146.47 50.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.076 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.92 -31.05 7.25 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.431 ' HB3' ' HG2' ' A' ' 24' ' ' ARG . 5.4 m-20 -76.02 -158.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -156.62 156.24 33.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.156 0.503 . . . . 0.0 111.928 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.577 HG23 HD21 ' A' ' 101' ' ' LEU . 93.0 t -118.34 127.13 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.435 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 84' ' ' VAL . 14.6 p -94.12 114.28 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.886 0.374 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 29' ' ' ALA . 4.1 t -94.13 114.85 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.989 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.712 HD11 ' HB2' ' A' ' 28' ' ' SER . 35.2 pt -55.27 -24.22 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.844 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.61 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 2.7 t70 -93.59 -44.32 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.553 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.36 -168.36 23.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.923 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.825 HD23 ' SG ' ' A' ' 117' ' ' CYS . 9.4 tp -178.12 154.9 0.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.664 0.269 . . . . 0.0 110.342 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -159.82 38.13 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.661 0.267 . . . . 0.0 111.493 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.0 155.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 111.128 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.922 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -57.52 115.29 2.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.619 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.15 123.64 40.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.002 0.429 . . . . 0.0 111.647 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.81 ' HA ' HG12 ' A' ' 100' ' ' VAL . 12.4 t-80 -58.42 145.49 38.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -124.44 -26.43 3.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.593 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' ASP . 14.1 pttt 179.68 136.85 0.11 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.669 0.271 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.11 -88.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' LYS . 42.8 m-20 -132.64 -10.34 3.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 99' ' ' LEU . 13.3 mt -74.64 119.55 18.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' ' 94' ' ' HIS . 30.9 m -110.99 -178.63 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 111.571 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.577 HD21 HG23 ' A' ' 83' ' ' VAL . 18.6 mt -123.44 123.44 40.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.132 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.922 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.3 t -105.01 136.78 19.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.32 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.402 ' HD2' HG13 ' A' ' 102' ' ' VAL . 6.3 Cg_endo -48.38 123.66 9.47 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.563 2.175 . . . . 0.0 111.523 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 116' ' ' ILE . 12.2 tp -122.09 -52.01 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 115' ' ' THR . 25.3 m -156.2 126.93 6.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.963 0.411 . . . . 0.0 112.096 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 94.6 m -118.41 118.65 32.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.698 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.429 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 22.0 mttm -131.6 128.03 38.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.531 HG22 ' HG2' ' A' ' 113' ' ' ARG . 21.5 t -102.87 139.89 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.66 126.1 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.43 -80.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.378 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -155.8 28.51 0.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.71 141.27 24.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.583 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 13.4 mtm180 -85.28 160.48 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.2 t -140.77 90.35 2.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.653 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.553 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 89.9 m -96.57 142.83 28.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.082 0.467 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.609 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -124.94 135.26 64.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.17 179.078 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.825 ' SG ' HD23 ' A' ' 89' ' ' LEU . 74.1 m -132.57 135.44 45.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -70.3 142.0 52.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.815 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.408 HG22 HD21 ' A' ' 101' ' ' LEU . 2.7 t -91.02 116.6 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.724 0.297 . . . . 0.0 110.354 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.16 150.36 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.417 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.28 138.46 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.032 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.031 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.831 0.348 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -59.1 -50.16 75.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.818 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.419 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 20.1 m-85 -72.79 -27.63 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.866 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.26 -30.02 57.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.125 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.695 ' O ' HG23 ' A' ' 20' ' ' VAL . 44.7 t80 -70.55 -54.05 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.268 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 14' ' ' PHE . 1.9 pp -67.46 -36.53 81.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.639 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -59.77 -39.98 86.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.102 0.477 . . . . 0.0 109.955 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -22.8 51.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.316 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.837 HG13 HG21 ' A' ' 84' ' ' VAL . 38.8 t -66.51 -47.51 83.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.84 0.352 . . . . 0.0 110.106 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.531 HD22 ' C ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -62.47 -19.62 63.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.162 178.825 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -79.34 -23.56 43.33 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.202 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.577 ' HG ' HD11 ' A' ' 116' ' ' ILE . 1.3 m -45.75 160.36 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.494 ' HB3' HG22 ' A' ' 77' ' ' VAL . 8.4 mpt_? -89.88 2.89 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.862 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -179.1 141.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.853 0.359 . . . . 0.0 111.527 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.4 t -118.63 107.47 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.684 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.657 ' NH1' ' HB2' ' A' ' 35' ' ' ALA . 8.8 mmt-85 -141.23 -175.73 4.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.049 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.704 ' HB2' HD11 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -112.08 145.21 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.568 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.839 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -68.24 -39.31 82.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.963 0.411 . . . . 0.0 110.336 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -28.3 69.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.491 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -156.64 72.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.38 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -76.59 -18.1 58.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.493 -179.493 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.32 12.48 16.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.6 140.44 4.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 111.443 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.657 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . . . -85.45 177.52 7.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.552 HD22 ' OE1' ' A' ' 40' ' ' GLN . 3.6 mp -97.4 -67.19 0.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.072 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.427 HG23 ' HB2' ' A' ' 40' ' ' GLN . 0.6 OUTLIER 173.11 160.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.375 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -47.44 -51.33 20.51 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.282 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.42 -34.51 78.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.552 ' OE1' HD22 ' A' ' 36' ' ' LEU . 7.0 mm-40 -67.61 -58.33 4.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.29 -35.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.82 92.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.72 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -57.16 -48.88 77.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.653 ' HA ' HD12 ' A' ' 47' ' ' ILE . 8.3 t80 -62.7 -33.57 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.169 179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.605 ' HB3' HD21 ' A' ' 68' ' ' LEU . 31.6 mtm180 -66.04 -45.74 80.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.736 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -57.6 -35.19 70.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 44' ' ' TYR . 67.3 mt -58.1 -60.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.632 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 48' ' ' LEU . 5.5 mt -66.3 -38.49 87.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.328 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.405 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 2.9 t30 -58.93 -50.21 74.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.155 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -54.09 -27.6 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.764 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -32.5 68.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.053 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.847 ' HB2' ' HE3' ' A' ' 65' ' ' MET . 0.3 OUTLIER -75.02 -23.48 58.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.196 0.522 . . . . 0.0 110.835 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -44.46 -62.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.261 -179.578 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.34 -23.04 24.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.946 -177.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -47.44 107.34 0.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.163 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -66.33 -50.25 64.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.986 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 99.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.56 72.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.63 89.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -42.02 48.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.0 p -58.64 -56.26 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.328 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -52.34 -33.84 44.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.272 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -62.77 -52.71 62.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -70.2 -45.51 66.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.449 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.847 ' HE3' ' HB2' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -54.22 -30.49 50.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.97 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.42 -34.98 35.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.024 0.44 . . . . 0.0 110.311 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.531 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -67.04 -30.87 71.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.215 179.313 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' A' ' 45' ' ' ARG . 4.8 tt -76.86 -28.31 55.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.648 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.29 64.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.732 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.5 t0 -108.73 17.06 22.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.883 ' CE2' HG11 ' A' ' 26' ' ' VAL . 23.7 t80 -54.28 148.58 11.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 111.281 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.84 56.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.428 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -107.19 155.69 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 179.704 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.79 93.79 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -121.58 139.65 53.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.76 121.16 20.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.791 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.51 ' CG1' HG21 ' A' ' 119' ' ' VAL . 21.7 t -81.43 154.01 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.13 164.99 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.342 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.415 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -63.88 146.97 53.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.079 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.91 -31.15 6.79 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.407 ' HB3' ' HD3' ' A' ' 24' ' ' ARG . 10.7 m-20 -83.98 -157.88 0.29 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.92 157.74 35.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.121 0.486 . . . . 0.0 111.77 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.478 ' CG2' HD21 ' A' ' 101' ' ' LEU . 61.9 t -121.0 125.41 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.425 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.837 HG21 HG13 ' A' ' 20' ' ' VAL . 12.9 p -92.58 114.19 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.05 0.452 . . . . 0.0 111.209 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.839 HG11 ' HB2' ' A' ' 29' ' ' ALA . 5.6 t -93.5 115.89 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.016 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.704 HD11 ' HB2' ' A' ' 28' ' ' SER . 45.6 pt -58.96 -18.7 13.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.895 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 18.4 t0 -97.61 -44.11 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.174 0.511 . . . . 0.0 109.632 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.538 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.69 -176.1 20.37 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.398 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.849 ' O ' HG21 ' A' ' 115' ' ' THR . 2.9 mt -177.97 107.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.755 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 1.6 m-20 -116.65 43.43 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.376 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 154.02 1.01 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.93 0.395 . . . . 0.0 111.463 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.788 ' SD ' HG21 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -59.28 123.05 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.403 179.4 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -136.9 125.78 24.16 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.849 ' HA ' HG12 ' A' ' 100' ' ' VAL . 46.9 t-80 -59.84 152.33 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.29 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -129.26 -30.78 2.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.533 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.88 155.71 0.45 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.755 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 44.0 -87.52 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.54 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -147.21 22.57 1.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 179.411 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.522 HD23 ' CA ' ' A' ' 121' ' ' LYS . 39.5 mt -107.53 129.99 54.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.421 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.849 HG12 ' HA ' ' A' ' 94' ' ' HIS . 27.7 m -114.34 177.95 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.373 0.606 . . . . 0.0 111.861 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.478 HD21 ' CG2' ' A' ' 83' ' ' VAL . 18.4 mt -121.88 123.44 41.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.839 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.448 HG13 ' HD2' ' A' ' 103' ' ' PRO . 30.0 t -109.87 138.49 20.73 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.034 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.448 ' HD2' HG13 ' A' ' 102' ' ' VAL . 5.8 Cg_endo -47.87 123.45 8.51 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.697 2.265 . . . . 0.0 112.009 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.663 HD13 ' OD2' ' A' ' 118' ' ' ASP . 11.0 tp -121.01 -51.61 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 115' ' ' THR . 1.7 m -151.41 123.44 8.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.999 0.428 . . . . 0.0 111.775 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 95.1 m -119.18 105.52 11.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.689 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.442 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 4.9 ttmt -126.18 138.46 53.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.018 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 112' ' ' SER . 28.4 t -102.15 124.18 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.445 HG12 HG22 ' A' ' 47' ' ' ILE . 22.5 t -119.05 124.67 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.36 -65.82 0.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.556 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -176.83 40.28 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.644 ' O ' HG13 ' A' ' 108' ' ' VAL . 2.2 m -144.66 150.06 36.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -92.62 110.03 21.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.81 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 21.7 m -110.46 108.57 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.397 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.849 HG21 ' O ' ' A' ' 89' ' ' LEU . 98.4 m -110.59 144.43 39.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.577 HD11 ' HG ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -121.07 134.6 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.698 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.403 ' HB2' HD22 ' A' ' 101' ' ' LEU . 94.8 m -129.23 141.55 51.1 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -177.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.663 ' OD2' HD13 ' A' ' 104' ' ' LEU . 1.9 p30 -78.93 132.78 36.86 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.408 178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.51 HG21 ' CG1' ' A' ' 77' ' ' VAL . 3.3 t -81.43 113.68 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.61 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.46 145.35 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.416 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.522 ' CA ' HD23 ' A' ' 99' ' ' LEU . 2.0 ttmt -74.6 144.25 44.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.79 179.924 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.6 -51.24 69.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 68.9 m-85 -70.96 -26.8 63.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -72.86 -37.37 67.4 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.686 ' O ' HG13 ' A' ' 20' ' ' VAL . 74.8 t80 -60.84 -36.58 79.5 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.822 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.866 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -66.0 -36.28 82.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.728 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -37.86 66.37 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.64 -48.12 17.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.372 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 17' ' ' LEU . 3.0 m -61.64 -33.57 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 CA-C-O 121.056 0.455 . . . . 0.0 110.525 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.679 HD13 ' HB3' ' A' ' 67' ' ' LYS . 52.4 mt -74.96 -25.0 58.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.516 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.4 -27.37 41.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.436 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.585 ' SG ' HD11 ' A' ' 116' ' ' ILE . 1.3 m -47.28 158.85 0.14 Allowed 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -35.52 8.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.021 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.575 ' HB3' HG13 ' A' ' 83' ' ' VAL . . . -116.36 140.35 49.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.867 HG11 ' CE2' ' A' ' 71' ' ' PHE . 12.2 t -138.67 107.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.21 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.723 ' CB ' HD23 ' A' ' 32' ' ' LEU . 1.1 mmm180 -161.18 143.68 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 111.379 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.402 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -69.67 138.99 53.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.71 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.418 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -52.49 -24.85 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.4 mtt -51.6 -25.78 7.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.265 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.17 68.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.952 0.406 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.723 HD23 ' CB ' ' A' ' 27' ' ' ARG . 3.6 mt -62.71 -17.76 61.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.583 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.46 12.54 5.43 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.95 153.2 10.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 111.717 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . . . -89.58 176.86 6.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.836 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.63 HD11 HH11 ' A' ' 27' ' ' ARG . 1.8 mp -99.88 -67.59 0.85 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.834 0.349 . . . . 0.0 110.827 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER 170.86 153.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.705 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -44.69 -39.66 5.29 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.379 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -73.08 -34.31 66.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.798 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.505 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 1.3 mp0 -70.72 -54.27 12.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.183 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.18 -38.33 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.27 -37.02 85.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -57.05 -56.19 24.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.442 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.419 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 2.3 t80 -61.05 -35.15 76.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.045 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -68.13 -35.46 78.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.723 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.79 -36.91 84.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.577 HG22 HG12 ' A' ' 109' ' ' VAL . 66.7 mt -58.3 -57.39 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.866 ' HB3' HD21 ' A' ' 17' ' ' LEU . 4.1 mt -63.74 -46.08 87.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.717 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.812 ' HB2' HD13 ' A' ' 68' ' ' LEU . 1.2 t30 -57.58 -32.49 67.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.56 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -68.83 -28.0 66.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.361 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -70.09 -33.32 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.992 0.425 . . . . 0.0 110.999 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.925 HD11 HD21 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -63.58 -56.38 16.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.734 -179.245 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 2.4 pt20 -54.79 -20.63 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.78 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.7 m -101.68 22.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 0.0 111.255 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 26.3 t0 -95.98 162.2 13.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.907 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -81.28 -31.38 33.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.05 97.58 10.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.73 86.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.22 -32.49 72.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.5 t -57.8 -49.73 75.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -53.33 -33.92 55.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.273 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -68.79 -41.94 78.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.049 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.863 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.22 -44.82 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.911 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.4 mtt -53.79 -32.76 53.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.53 -30.64 57.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.012 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.679 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -67.52 -37.99 83.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.981 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.925 HD21 HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -75.23 -22.78 57.65 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.836 179.765 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.52 26.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.67 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -113.96 16.84 18.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.984 179.662 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.867 ' CE2' HG11 ' A' ' 26' ' ' VAL . 23.3 t80 -60.81 140.85 57.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.24 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 53.72 64.16 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.381 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' ' 70' ' ' ASP . 3.9 m -107.19 155.75 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.09 95.8 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.794 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -151.43 156.47 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -90.06 132.2 35.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.555 HG23 ' CZ ' ' A' ' 95' ' ' PHE . 16.5 t -81.56 160.06 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.48 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -143.06 163.62 32.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.55 -179.207 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.529 ' HB2' HD21 ' A' ' 99' ' ' LEU . . . -61.74 146.16 50.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.143 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.45 -31.12 7.02 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.92 -158.1 0.22 Allowed 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.99 164.19 37.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 0.0 111.383 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.575 HG13 ' HB3' ' A' ' 25' ' ' ALA . 96.4 t -134.27 122.76 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.51 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.704 HG13 HG13 ' A' ' 26' ' ' VAL . 8.4 p -96.02 114.14 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 111.376 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 27' ' ' ARG . 42.5 t -91.22 115.52 30.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.047 0.451 . . . . 0.0 110.383 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.402 HG13 ' H ' ' A' ' 86' ' ' ILE . 8.8 mt -50.2 -18.38 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.52 ' H ' HG12 ' A' ' 85' ' ' VAL . 2.0 t70 -103.84 -42.76 5.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.258 0.552 . . . . 0.0 109.522 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.539 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.01 -173.51 21.85 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.656 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -178.04 106.64 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.976 0.417 . . . . 0.0 111.256 179.43 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.454 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 91.0 m-20 -113.46 45.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.33 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -169.49 149.43 3.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.315 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.908 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -63.56 114.19 3.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.413 179.472 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -122.64 126.73 48.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.783 ' HA ' HG12 ' A' ' 100' ' ' VAL . 8.6 t-80 -61.95 145.86 51.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.964 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 77' ' ' VAL . 75.2 t80 -123.25 -26.64 4.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.466 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.448 ' N ' ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -179.37 142.62 0.18 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.649 0.261 . . . . 0.0 110.939 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 47.94 -90.67 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.5 m-20 -136.08 6.37 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.569 0.223 . . . . 0.0 111.167 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 121' ' ' LYS . 11.5 mt -86.0 119.71 26.6 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.783 HG12 ' HA ' ' A' ' 94' ' ' HIS . 33.7 m -111.88 174.44 2.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.341 0.591 . . . . 0.0 111.822 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 83' ' ' VAL . 17.3 mt -116.55 123.33 47.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.015 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.9 t -106.77 136.39 19.43 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.169 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.454 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 5.2 Cg_endo -47.69 123.65 8.57 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.609 2.206 . . . . 0.0 111.632 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.491 ' HB3' HG23 ' A' ' 116' ' ' ILE . 11.0 tp -121.46 -51.72 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.847 -178.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.542 ' O ' ' HA ' ' A' ' 115' ' ' THR . 4.5 m -151.69 123.7 8.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.931 0.396 . . . . 0.0 111.915 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.699 HG23 ' OG1' ' A' ' 115' ' ' THR . 49.5 m -114.74 111.92 22.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.828 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -134.71 149.67 50.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.669 HG22 ' HG2' ' A' ' 113' ' ' ARG . 16.4 t -111.9 134.3 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.577 HG12 HG22 ' A' ' 47' ' ' ILE . 19.2 t -134.27 122.89 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.77 -62.57 2.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 176.18 47.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.58 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -163.84 130.15 3.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.669 ' HG2' HG22 ' A' ' 108' ' ' VAL . 2.1 mtt180 -72.76 116.11 12.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 6.7 m -114.86 95.93 5.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.366 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.699 ' OG1' HG23 ' A' ' 106' ' ' THR . 85.0 m -96.96 152.05 19.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.881 0.372 . . . . 0.0 110.697 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.585 HD11 ' SG ' ' A' ' 23' ' ' CYS . 3.1 tt -122.88 141.68 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.875 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.503 ' HB2' HD22 ' A' ' 101' ' ' LEU . 80.7 m -133.09 139.11 46.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.26 136.23 42.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.809 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.536 HG21 ' CG1' ' A' ' 77' ' ' VAL . 2.5 t -86.3 113.49 24.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.72 0.295 . . . . 0.0 110.283 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.428 ' C ' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -130.71 145.41 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.993 0.425 . . . . 0.0 111.564 -178.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.531 ' N ' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -74.57 152.31 39.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.13 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.782 0.325 . . . . 0.0 110.746 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -64.77 -40.09 94.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.661 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.807 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.5 m-85 -70.68 -30.06 66.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.394 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -73.31 -30.66 63.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.727 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CE2' ' HB2' ' A' ' 107' ' ' LYS . 1.3 t80 -63.21 -48.4 78.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.202 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.807 HD23 ' HA ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -62.8 -33.65 75.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.454 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.471 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 13.4 m -57.4 -33.92 68.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.46 -25.8 57.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.293 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.878 HG13 HG21 ' A' ' 84' ' ' VAL . 67.5 t -68.33 -48.73 71.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.96 0.409 . . . . 0.0 110.214 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.865 HD13 ' HB2' ' A' ' 67' ' ' LYS . 3.8 mt -60.86 -25.98 67.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.625 178.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.408 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 2.0 t0 -71.45 -28.49 64.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.165 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' A' ' 116' ' ' ILE . 74.2 m -51.25 171.56 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.766 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.734 ' HB2' ' HB ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -111.96 -39.55 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.425 -179.522 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.16 140.17 49.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.988 0.423 . . . . 0.0 111.283 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.67 107.32 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.724 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.892 ' HB3' HD23 ' A' ' 32' ' ' LEU . 10.0 mmt-85 -136.93 172.49 12.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.84 144.05 38.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -59.58 -39.13 83.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.717 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.9 ptp -58.46 -26.6 63.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.718 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -157.63 67.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.892 HD23 ' HB3' ' A' ' 27' ' ' ARG . 4.9 mt -60.98 -24.77 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -95.12 12.52 28.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.592 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.53 118.76 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 111.491 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.29 177.57 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 5.0 mp -85.63 -67.04 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 111.006 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.25 154.98 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.684 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -42.26 51.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.719 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.05 -34.52 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.668 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -62.58 -56.84 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.402 HG11 ' CB ' ' A' ' 72' ' ' ALA . 59.6 t -55.92 -31.23 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.765 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.31 94.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.627 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.06 -53.89 52.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.276 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.513 ' CE2' HG23 ' A' ' 86' ' ' ILE . 21.9 t80 -58.35 -33.79 69.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.163 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.418 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.94 -35.18 77.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.382 179.461 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -76.48 -30.22 57.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 44' ' ' TYR . 61.3 mt -56.06 -61.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.051 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.66 HD23 ' N ' ' A' ' 48' ' ' LEU . 1.8 mt -68.54 -41.21 80.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.981 0.42 . . . . 0.0 110.415 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -58.29 -40.36 81.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.604 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -67.2 -27.45 67.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.093 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -33.29 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.036 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.762 HD22 HD12 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -64.05 -56.48 14.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.99 -179.018 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -49.18 -25.18 2.06 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.205 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -104.34 22.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 111.42 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -85.73 154.25 21.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.587 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -68.75 -56.77 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.16 99.64 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.82 -26.04 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.31 -38.56 71.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.231 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -75.72 -36.87 59.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -55.54 -36.75 67.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -58.58 -36.78 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.174 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -48.9 31.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.197 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.762 HD12 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -70.15 -36.77 74.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.814 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.61 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.18 -36.74 71.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 -179.653 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.92 -40.57 39.29 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.865 ' HB2' HD13 ' A' ' 21' ' ' LEU . 5.1 mmmt -63.31 -27.41 69.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.725 178.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.73 ' CD2' HD21 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -73.32 -30.43 63.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.942 179.074 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.62 -20.43 55.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.515 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.756 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -115.03 16.9 17.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.59 -179.522 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.411 ' HB3' ' CG ' ' A' ' 45' ' ' ARG . 26.4 t80 -57.27 137.32 56.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.306 . . . . 0.0 111.074 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.402 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 58.1 68.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.756 HG13 ' O ' ' A' ' 70' ' ' ASP . 2.3 m -106.99 155.78 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -82.82 96.77 8.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -155.56 139.62 16.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.15 147.24 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.076 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.734 ' HB ' ' HB2' ' A' ' 24' ' ' ARG . 1.9 p -131.04 123.81 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -111.72 -158.41 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.695 -179.762 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.558 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -67.7 149.66 49.71 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.07 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.12 -31.5 7.3 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.245 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.564 ' HB2' HG23 ' A' ' 77' ' ' VAL . 58.6 m-20 -91.46 -169.68 2.38 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.407 ' HD3' ' CD2' ' A' ' 104' ' ' LEU . 36.1 mtm180 -140.01 156.68 46.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.073 0.463 . . . . 0.0 111.722 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.525 ' CG2' HD21 ' A' ' 101' ' ' LEU . 60.4 t -122.39 119.5 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.353 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.878 HG21 HG13 ' A' ' 20' ' ' VAL . 7.4 p -92.98 119.64 41.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 111.35 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 89' ' ' LEU . 4.0 t -93.88 116.04 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.513 HG23 ' CE2' ' A' ' 44' ' ' TYR . 6.9 mt -56.52 -19.96 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.921 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.655 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 7.1 t0 -100.85 -43.43 6.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.429 . . . . 0.0 109.847 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.501 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.59 -173.29 22.13 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.4 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.829 ' O ' HG21 ' A' ' 115' ' ' THR . 3.7 mt -177.88 122.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.15 41.78 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.02 158.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.872 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -60.36 131.87 52.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.582 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -146.07 129.01 16.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.966 0.412 . . . . 0.0 112.025 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.797 ' HA ' HG12 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -62.72 138.1 58.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.378 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.533 ' CE2' HG13 ' A' ' 77' ' ' VAL . 70.5 t80 -127.43 -2.6 6.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.245 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HD3' ' CD2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -155.33 -167.61 2.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.643 0.258 . . . . 0.0 110.633 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -43.6 12.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.858 0.361 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -146.08 -15.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.921 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 121' ' ' LYS . 90.8 mt -74.59 129.21 37.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.669 0.271 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.797 HG12 ' HA ' ' A' ' 94' ' ' HIS . 17.1 m -111.0 -176.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.213 0.53 . . . . 0.0 111.592 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.525 HD21 ' CG2' ' A' ' 83' ' ' VAL . 93.2 mt -127.88 123.56 35.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.223 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.872 HG22 ' HG3' ' A' ' 92' ' ' MET . 22.6 t -106.46 132.87 20.54 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.005 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.86 123.59 8.71 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.446 2.097 . . . . 0.0 111.676 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.592 ' HB3' HG22 ' A' ' 116' ' ' ILE . 11.0 tp -121.72 -51.77 2.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.663 -179.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.492 ' O ' ' HA ' ' A' ' 115' ' ' THR . 2.9 m -148.54 123.44 9.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.837 0.351 . . . . 0.0 111.603 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.499 HG21 ' NH1' ' A' ' 113' ' ' ARG . 92.8 m -118.6 120.97 39.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.991 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.438 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 17.3 mttm -156.1 122.15 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.849 HG23 ' C ' ' A' ' 112' ' ' SER . 2.3 p -81.8 135.81 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.734 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.515 HG11 HD22 ' A' ' 48' ' ' LEU . 12.4 t -126.98 114.69 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.912 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.96 -10.2 69.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.669 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.57 0.01 6.27 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.071 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.849 ' C ' HG23 ' A' ' 108' ' ' VAL . 19.1 m -125.85 130.71 51.9 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.099 0.476 . . . . 0.0 111.437 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.499 ' NH1' HG21 ' A' ' 106' ' ' THR . 0.8 OUTLIER -57.76 146.79 30.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.494 -179.771 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 6.0 t -140.77 93.62 2.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.445 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.829 HG21 ' O ' ' A' ' 89' ' ' LEU . 92.4 m -96.94 141.11 30.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.192 0.52 . . . . 0.0 111.462 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.592 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -118.19 134.37 62.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.035 178.431 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 63.5 m -130.78 139.63 50.24 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.46 133.95 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.764 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.52 HG21 HG22 ' A' ' 77' ' ' VAL . 11.2 t -81.62 115.41 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.833 0.349 . . . . 0.0 110.625 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.53 148.25 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.235 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.613 ' HA ' HD23 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -74.48 147.26 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.692 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.868 -179.916 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.41 -52.18 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 51.4 m-85 -70.87 -26.52 63.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.768 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -32.62 70.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 68.1 t80 -64.98 -39.56 93.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.903 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -61.11 -39.66 90.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.481 179.621 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -36.77 65.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.143 0.497 . . . . 0.0 109.892 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.13 -38.47 51.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.312 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.85 HG13 HG21 ' A' ' 84' ' ' VAL . 91.0 t -65.24 -59.32 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.105 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD13 ' HB2' ' A' ' 67' ' ' LYS . 16.0 mt -57.23 -22.58 42.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.941 178.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.95 -32.6 65.35 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.621 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.583 ' SG ' HG12 ' A' ' 84' ' ' VAL . 8.9 p -44.03 164.19 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.856 0.36 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.844 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.8 mpt_? -98.09 -26.66 14.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.526 ' HB3' HG21 ' A' ' 77' ' ' VAL . . . -152.8 143.44 22.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.886 HG13 ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -129.73 137.65 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.026 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -151.61 -175.66 5.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.758 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.634 ' CB ' HD11 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -104.6 131.22 52.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.015 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.708 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -58.34 -43.81 88.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.952 0.406 . . . . 0.0 110.357 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtt -53.24 -25.39 14.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.789 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -166.28 73.86 0.17 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.424 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.8 OUTLIER -67.88 -17.91 64.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.479 -179.542 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -86.55 12.45 10.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.602 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.43 132.55 0.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.817 0.341 . . . . 0.0 111.256 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.11 177.5 4.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.002 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.64 HD11 ' CD1' ' A' ' 86' ' ' ILE . 2.7 mp -91.67 -67.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.379 . . . . 0.0 110.997 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER 175.62 154.01 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 179.496 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -45.79 -36.6 5.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.333 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.98 -34.41 61.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.504 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.84 -59.06 3.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.996 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.51 HG11 ' CB ' ' A' ' 72' ' ' ALA . 34.2 t -56.17 -40.78 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -42.84 92.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -57.17 -44.16 83.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.379 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.618 ' HA ' HD12 ' A' ' 47' ' ' ILE . 29.5 t80 -70.59 -34.8 72.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.3 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.499 ' CD ' HG12 ' A' ' 41' ' ' VAL . 6.9 mtp180 -66.84 -35.28 79.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.725 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.9 -34.09 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 44' ' ' TYR . 41.5 mt -61.45 -60.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' A' ' 17' ' ' LEU . 3.9 mt -62.65 -49.53 74.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.656 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -54.67 -32.15 58.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.901 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -69.27 -28.31 66.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.282 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -68.73 -33.37 73.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 111.037 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.681 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -64.55 -56.45 13.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.727 -179.177 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 2.3 pt20 -55.99 -33.56 64.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.739 0.304 . . . . 0.0 111.543 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.901 HG22 ' O ' ' A' ' 50' ' ' ALA . 10.5 m -94.43 22.28 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.501 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 35.4 t0 -90.67 161.66 15.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.752 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -79.38 -31.56 42.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.85 100.0 12.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.19 86.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.76 92.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -71.39 -38.32 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.3 t -51.49 -54.5 26.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -33.86 26.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -70.43 -52.22 23.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.681 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.13 -38.09 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.837 -179.83 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.652 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.26 -32.16 64.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.43 -41.46 24.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 109.965 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.718 ' HB2' HD13 ' A' ' 21' ' ' LEU . 5.4 mtmt -64.31 -27.32 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.837 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.633 ' O ' HD13 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -73.93 -31.27 62.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.989 179.15 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.43 -25.84 38.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.343 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -105.98 17.15 24.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.422 -179.722 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 29.8 t80 -65.23 129.39 39.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.246 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.886 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . 71.7 39.19 0.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.471 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 70' ' ' ASP . 65.3 t -107.06 146.29 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.861 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -69.41 103.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -126.19 142.87 51.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -63.83 109.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.844 HG22 ' HB3' ' A' ' 24' ' ' ARG . 22.7 t -95.58 139.15 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -134.33 -160.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.426 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -82.81 148.54 27.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.247 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.65 -31.06 7.53 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.448 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -82.6 -166.96 1.43 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HD3' HD23 ' A' ' 104' ' ' LEU . 1.8 mtm180 -146.79 155.3 42.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 111.415 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.672 HG23 HD21 ' A' ' 101' ' ' LEU . 94.0 t -112.44 116.23 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.96 179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.85 HG21 HG13 ' A' ' 20' ' ' VAL . 8.5 p -92.27 111.06 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 110.997 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.708 HG11 ' HB2' ' A' ' 29' ' ' ALA . 4.8 t -88.25 136.57 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.057 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.64 ' CD1' HD11 ' A' ' 36' ' ' LEU . 19.7 pt -73.01 -16.9 17.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.714 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.585 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -102.97 -44.59 5.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.973 0.416 . . . . 0.0 110.013 179.204 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.505 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.72 -173.15 21.94 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.237 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.784 ' O ' HG21 ' A' ' 115' ' ' THR . 12.0 tp -177.99 106.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.953 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.69 44.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.69 156.65 0.89 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 30.6 ttm -57.87 142.82 44.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.41 ' HB3' HD21 ' A' ' 89' ' ' LEU . . . -155.91 122.6 5.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.496 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 1.4 p-80 -63.6 152.42 38.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.991 0.424 . . . . 0.0 110.798 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -115.61 -34.74 4.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.584 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' ASP . 2.6 pttp 178.85 143.99 0.13 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.708 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 52.93 -85.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.09 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -138.95 1.69 2.08 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.933 HD22 HG12 ' A' ' 119' ' ' VAL . 12.0 mt -74.51 119.43 18.69 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.582 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -114.23 137.76 46.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.192 0.52 . . . . 0.0 111.496 -179.227 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.672 HD21 HG23 ' A' ' 83' ' ' VAL . 15.8 mt -98.16 123.91 42.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.5 t -110.53 137.11 20.62 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -48.11 123.73 9.22 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.669 2.246 . . . . 0.0 111.96 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.547 HD23 ' HD3' ' A' ' 82' ' ' ARG . 11.7 tp -120.9 -44.32 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.568 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 115' ' ' THR . 54.2 m -160.72 133.4 6.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 111.763 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 95.3 m -124.57 121.29 34.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.779 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 43.2 mttt -140.34 131.02 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 113' ' ' ARG . 22.9 t -93.65 140.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.678 HG11 HD22 ' A' ' 48' ' ' LEU . 21.6 t -142.53 114.74 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.453 ' HA3' HG21 ' A' ' 47' ' ' ILE . . . 70.36 36.03 69.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.507 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.9 28.35 64.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.514 ' C ' HG13 ' A' ' 108' ' ' VAL . 3.9 m -140.03 118.73 12.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.536 ' HA ' HG22 ' A' ' 108' ' ' VAL . 37.2 mtm180 -65.2 147.38 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.1 t -140.53 97.65 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.784 HG21 ' O ' ' A' ' 89' ' ' LEU . 89.9 m -104.87 140.74 37.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.3 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.502 HG23 ' HA ' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -122.17 142.06 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.797 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.568 ' HB2' HD22 ' A' ' 101' ' ' LEU . 83.6 m -132.42 138.36 47.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.177 -178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -69.22 141.32 54.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.873 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.933 HG12 HD22 ' A' ' 99' ' ' LEU . 2.4 t -89.49 102.83 13.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.104 0.478 . . . . 0.0 110.775 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.505 HG23 HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -122.1 138.44 52.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.693 -179.625 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.26 135.94 42.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.965 0.412 . . . . 0.0 111.181 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.849 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.426 ' HA ' ' CG ' ' A' ' 15' ' ' GLN . 31.9 p-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.752 0.31 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.32 -45.72 90.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.101 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.0 m-85 -64.83 -26.79 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HG2' ' H ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -81.03 -37.15 29.59 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.395 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CD1' ' HD3' ' A' ' 107' ' ' LYS . 21.9 t80 -62.23 -54.14 45.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.047 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.022 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -60.02 -36.41 77.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.142 0.496 . . . . 0.0 110.007 179.42 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.481 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 39.9 t -63.68 -30.75 71.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.42 -26.47 51.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.759 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.022 HG22 ' O ' ' A' ' 17' ' ' LEU . 6.1 m -69.7 -30.05 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.146 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.79 HD13 ' HB2' ' A' ' 67' ' ' LYS . 10.3 mt -70.04 -23.47 63.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -36.32 72.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.287 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.5 m -46.66 169.52 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.004 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.53 -45.24 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.559 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.17 140.22 49.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 111.282 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.836 HG11 ' CE1' ' A' ' 71' ' ' PHE . 21.9 t -118.56 107.22 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.952 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.808 ' HB3' HD23 ' A' ' 32' ' ' LEU . 1.2 mmp_? -141.52 -178.75 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.43 ' HB2' HD12 ' A' ' 86' ' ' ILE . 1.6 t -123.46 153.38 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.532 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -60.31 -44.29 95.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.1 mmt -56.35 -27.0 54.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.96 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -155.93 71.01 0.72 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' A' ' 27' ' ' ARG . 2.0 mt -67.9 -18.36 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.321 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.66 12.65 19.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.39 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . . . -149.27 115.67 5.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 111.357 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -70.87 177.54 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD23 ' NE2' ' A' ' 40' ' ' GLN . 4.1 mp -94.17 -67.0 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 40' ' ' GLN . 0.1 OUTLIER 172.33 160.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.157 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -46.46 -50.12 17.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.362 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -34.42 78.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.547 ' NE2' HD23 ' A' ' 36' ' ' LEU . 6.5 mm-40 -67.85 -55.52 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.531 HG11 ' CB ' ' A' ' 72' ' ' ALA . 44.6 t -58.96 -43.46 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.98 92.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.7 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.437 ' O ' HG13 ' A' ' 47' ' ' ILE . 13.4 mm-40 -57.15 -51.84 67.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.152 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.422 ' CE2' HG23 ' A' ' 86' ' ' ILE . 8.9 t80 -61.28 -36.0 78.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.318 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -64.43 -33.71 76.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.801 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.484 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 3.9 m-20 -73.1 -25.76 60.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 43' ' ' GLN . 32.5 mt -64.01 -60.9 2.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.563 HD23 ' N ' ' A' ' 48' ' ' LEU . 1.8 mt -64.1 -47.36 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.495 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.425 ' HB2' HD13 ' A' ' 68' ' ' LEU . 14.9 t-20 -57.96 -30.79 66.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.645 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.502 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -69.25 -28.0 65.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.292 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 54' ' ' VAL . 32.8 t -70.74 -33.33 70.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.897 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -63.72 -56.47 15.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.695 -179.286 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 2.6 pt20 -53.0 -21.81 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.816 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.5 m -101.64 22.21 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.649 0.261 . . . . 0.0 111.208 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -91.34 166.55 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -29.42 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.04 99.23 10.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.03 -46.52 88.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.13 93.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -67.37 -40.44 85.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.9 p -60.41 -56.63 19.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.98 -33.9 26.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.318 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -61.51 -45.25 95.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.652 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.848 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.17 -36.2 74.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.479 179.639 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.897 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.6 mtt -54.81 -37.22 65.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.115 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.97 57.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.301 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.79 ' HB2' HD13 ' A' ' 21' ' ' LEU . 11.7 mtpp -71.01 -30.97 67.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.285 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.71 ' HA ' HD22 ' A' ' 21' ' ' LEU . 5.7 tt -76.53 -23.85 53.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.868 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.34 25.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.915 0.388 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -100.19 17.03 22.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.836 ' CE1' HG11 ' A' ' 26' ' ' VAL . 24.1 t80 -70.82 132.88 45.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.868 0.366 . . . . 0.0 111.18 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.531 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 59.29 55.66 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.526 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 70' ' ' ASP . 55.0 t -107.21 153.66 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.404 ' N ' HG12 ' A' ' 73' ' ' VAL . 12.2 mm-40 -69.35 108.49 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -169.49 144.68 3.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.68 141.65 30.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.561 ' CG1' HG21 ' A' ' 119' ' ' VAL . 24.7 t -81.44 154.51 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.545 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.417 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -138.57 165.4 26.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.471 -179.155 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.479 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.55 144.11 56.46 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.166 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.39 -31.16 7.34 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.96 -160.42 0.32 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.623 ' HE ' HD23 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -146.84 155.12 42.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.006 0.431 . . . . 0.0 111.595 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.2 t -118.23 118.95 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.257 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 84' ' ' VAL . 4.6 p -92.65 122.98 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 0.0 111.538 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 87' ' ' ASP . 5.2 t -101.54 116.22 44.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.271 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.43 HD12 ' HB2' ' A' ' 28' ' ' SER . 7.1 mt -57.61 -17.96 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.626 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.532 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 4.8 t0 -101.02 -44.21 5.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.127 0.489 . . . . 0.0 109.946 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.497 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.81 -163.33 25.01 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.138 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.849 HD23 ' SG ' ' A' ' 117' ' ' CYS . 11.9 tp -177.92 106.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.958 0.408 . . . . 0.0 110.976 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.15 35.7 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.62 173.09 2.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.408 ' SD ' HG11 ' A' ' 100' ' ' VAL . 24.2 ttp -84.68 130.91 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -137.74 145.63 42.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -75.35 152.38 38.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.897 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' HB2' HD11 ' A' ' 101' ' ' LEU . 69.9 t80 -126.72 -17.96 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.791 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -151.63 -167.61 2.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.046 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 -41.82 6.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.059 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -145.96 -6.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.54 119.74 19.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.787 0.327 . . . . 0.0 110.313 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.52 HG12 HG23 ' A' ' 120' ' ' VAL . 0.5 OUTLIER -110.18 155.35 11.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 95' ' ' PHE . 5.5 mt -116.04 124.03 49.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.905 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 103' ' ' PRO . 36.2 t -109.54 137.6 20.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.89 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 102' ' ' VAL . 6.1 Cg_endo -47.77 123.69 8.74 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.708 2.272 . . . . 0.0 112.12 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.623 HD23 ' HE ' ' A' ' 82' ' ' ARG . 11.7 tp -121.18 -45.16 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.477 ' HB ' HG13 ' A' ' 116' ' ' ILE . 54.7 m -160.88 128.91 4.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.027 0.442 . . . . 0.0 111.721 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 98.2 m -122.52 118.42 28.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.771 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.442 ' HD3' ' CD1' ' A' ' 16' ' ' PHE . 0.9 OUTLIER -139.71 138.44 35.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.928 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.21 136.93 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.232 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.465 HG11 HD22 ' A' ' 48' ' ' LEU . 21.4 t -142.17 114.98 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.5 49.7 48.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 60.42 28.5 67.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.404 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m -142.41 125.41 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.337 . . . . 0.0 111.022 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 148.27 48.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 17.5 t -140.65 101.43 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.497 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 86.9 m -108.13 141.24 40.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.477 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -122.32 141.97 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.849 ' SG ' HD23 ' A' ' 89' ' ' LEU . 82.2 m -133.6 136.65 45.01 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.985 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.15 143.85 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.995 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.561 HG21 ' CG1' ' A' ' 77' ' ' VAL . 10.5 t -91.38 104.3 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.963 0.411 . . . . 0.0 110.72 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.52 HG23 HG12 ' A' ' 100' ' ' VAL . 0.9 OUTLIER -128.88 139.68 51.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.906 -179.612 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.44 124.3 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.845 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.491 ' O ' HD12 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER 41.28 -89.11 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.654 0.382 . . . . 0.0 111.777 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 1' ' ' GLY . 39.3 p -82.02 -43.67 17.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.01 -25.86 23.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.795 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.89 HG21 HD23 ' A' ' 9' ' ' LEU . 52.5 m -98.43 -48.0 5.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.502 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 6' ' ' LEU . 7.6 mt 63.71 -83.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -126.83 -29.81 2.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.776 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.8 79.01 7.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.874 0.368 . . . . 0.0 110.808 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.89 HD23 HG21 ' A' ' 5' ' ' THR . 6.5 mt -73.51 152.64 40.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.6 p -94.22 178.59 5.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -66.01 -45.58 81.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.63 -48.66 53.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 26.9 m-85 -58.7 -26.39 63.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -32.09 73.49 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 20' ' ' VAL . 64.1 t80 -71.45 -36.86 71.38 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.993 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -68.25 -42.44 79.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.453 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -54.72 -33.52 61.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.217 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -38.77 52.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.37 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.049 HG13 HG21 ' A' ' 84' ' ' VAL . 91.8 t -61.16 -54.46 34.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.116 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.696 HD22 ' HA ' ' A' ' 68' ' ' LEU . 15.9 mt -60.18 -27.3 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.991 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -28.31 61.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.512 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.672 ' SG ' HD11 ' A' ' 116' ' ' ILE . 93.7 m -49.48 156.49 0.62 Allowed 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -94.09 -28.47 15.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.8 ' HB3' HG13 ' A' ' 83' ' ' VAL . . . -118.03 140.25 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.03 0.443 . . . . 0.0 111.422 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.573 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 15.3 t -139.54 107.45 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.453 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.734 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -148.5 -175.52 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 -179.368 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.629 ' HB2' HD11 ' A' ' 86' ' ' ILE . 2.0 t -110.53 139.77 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -59.89 -46.26 89.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.494 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -26.07 16.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.682 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -161.73 78.22 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.352 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.734 HD23 ' HB3' ' A' ' 27' ' ' ARG . 13.1 mt -72.43 -34.63 67.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.473 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -81.1 -12.95 59.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.685 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.0 127.7 30.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 111.469 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . . . -66.96 177.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.753 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.505 ' N ' HD12 ' A' ' 36' ' ' LEU . 4.1 mp -95.46 -66.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -175.85 163.61 2.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.616 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -56.75 -43.39 80.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.637 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -34.53 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.623 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.429 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 1.6 mp0 -61.2 -57.36 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 37' ' ' THR . 40.1 t -55.85 -43.51 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.53 78.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.758 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -58.13 -55.08 39.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.529 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.526 ' HA ' HD12 ' A' ' 47' ' ' ILE . 41.8 t80 -60.91 -33.66 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.354 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -37.54 87.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.599 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.6 -30.79 69.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 44' ' ' TYR . 63.8 mt -58.48 -60.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' A' ' 17' ' ' LEU . 4.6 mt -68.06 -43.95 77.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.519 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -54.42 -34.41 61.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.843 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -73.21 -27.94 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -33.36 74.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.12 0.486 . . . . 0.0 110.411 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.802 HD22 HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -62.69 -56.51 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.62 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -53.82 -59.74 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.218 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 50' ' ' ALA . 2.7 m -53.51 -23.62 7.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.622 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -48.02 164.94 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.823 0.344 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -87.64 -33.36 18.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -91.1 98.42 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.76 -30.11 70.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.12 -47.15 63.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -65.14 -40.98 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 p -54.01 -35.91 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -43.18 95.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -60.22 -54.73 42.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.802 HD12 HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -70.28 -33.74 71.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.64 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -54.04 -36.64 63.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.37 -32.65 37.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.509 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.86 -30.72 70.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.276 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.696 ' HA ' HD22 ' A' ' 21' ' ' LEU . 6.7 tt -76.69 -29.56 56.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.615 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.38 -24.17 28.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.072 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.2 16.99 25.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.573 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 46.7 t80 -51.35 127.54 20.01 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.879 0.371 . . . . 0.0 111.18 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.8 44.82 6.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.5 p -92.91 152.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.27 112.24 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -150.58 155.9 40.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -84.94 123.41 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 78' ' ' THR . 29.0 t -81.54 159.27 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.497 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -153.34 162.81 40.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.294 -179.156 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.75 147.94 52.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.966 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.69 -31.03 7.18 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.195 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.07 -158.14 0.09 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.455 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 3.8 mpt_? -155.66 149.8 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.073 0.463 . . . . 0.0 111.568 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.8 HG13 ' HB3' ' A' ' 25' ' ' ALA . 48.3 t -110.03 117.77 55.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.931 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.049 HG21 HG13 ' A' ' 20' ' ' VAL . 14.1 p -92.51 118.05 37.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.442 . . . . 0.0 111.208 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.583 HG12 ' H ' ' A' ' 87' ' ' ASP . 5.7 t -98.04 130.26 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.982 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.629 HD11 ' HB2' ' A' ' 28' ' ' SER . 16.9 pt -68.58 -15.18 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.655 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -104.82 -44.67 4.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.296 179.564 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . 135.8 -171.49 22.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.439 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.726 HD23 ' SG ' ' A' ' 117' ' ' CYS . 14.5 tp -177.94 106.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.606 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.89 -23.85 17.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.415 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.96 156.94 25.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 0.0 111.16 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.663 ' HG3' HG22 ' A' ' 102' ' ' VAL . 1.2 ttm -66.49 142.99 57.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.626 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -148.81 142.02 25.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.593 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 47.3 t-80 -69.06 152.73 44.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.979 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.519 ' HB2' HD11 ' A' ' 101' ' ' LEU . 64.6 t80 -120.03 -36.62 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.724 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.89 160.63 0.66 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.439 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.4 t70 44.41 -86.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 96' ' ' LYS . 70.1 m-20 -149.09 18.23 0.97 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.612 0.244 . . . . 0.0 111.092 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.47 HD22 HG12 ' A' ' 119' ' ' VAL . 20.1 mt -92.09 127.07 37.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.363 . . . . 0.0 110.464 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.527 HG21 ' SD ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -110.24 142.83 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.315 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -100.6 124.19 45.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.676 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.663 HG22 ' HG3' ' A' ' 92' ' ' MET . 33.9 t -111.18 137.14 20.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.413 ' HD2' HG13 ' A' ' 102' ' ' VAL . 6.2 Cg_endo -48.24 124.31 10.24 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.781 2.32 . . . . 0.0 111.965 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.601 ' HB3' HG22 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -118.21 -51.61 2.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.641 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.5 m -153.82 128.56 9.41 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.067 0.46 . . . . 0.0 112.111 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 86.5 m -117.64 122.7 44.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.777 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 30.9 mttp -136.74 138.68 41.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.41 118.02 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.046 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.29 128.07 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.17 28.74 64.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.27 32.62 42.65 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -137.79 120.48 16.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 139.8 58.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 34.4 t -140.52 98.74 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.697 HG21 ' O ' ' A' ' 89' ' ' LEU . 90.8 m -102.03 143.35 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.157 0.503 . . . . 0.0 111.272 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.672 HD11 ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -121.26 139.27 48.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.105 178.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.726 ' SG ' HD23 ' A' ' 89' ' ' LEU . 61.0 m -131.98 140.89 49.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.113 0.482 . . . . 0.0 112.282 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.568 ' HB2' HD13 ' A' ' 104' ' ' LEU . 10.0 t0 -75.31 138.31 41.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.895 178.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.47 HG12 HD22 ' A' ' 99' ' ' LEU . 2.1 t -87.74 102.91 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 110.559 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.525 HG23 HG12 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -120.02 141.15 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.152 -179.295 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -74.61 126.54 31.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.072 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.39 106.84 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.481 ' HA3' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 175.82 -169.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.784 ' O ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -68.54 -53.54 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.432 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.514 ' O ' HD21 ' A' ' 9' ' ' LEU . . . -57.16 -30.88 64.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.135 0.493 . . . . 0.0 110.18 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 8' ' ' ALA . 27.2 m -70.34 -53.39 16.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.152 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 3' ' ' THR . 0.3 OUTLIER 51.38 86.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.53 179.523 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 50.99 36.71 15.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.802 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.707 ' H ' HG22 ' A' ' 5' ' ' THR . . . 69.37 108.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.514 HD21 ' O ' ' A' ' 4' ' ' ALA . 54.5 mt -57.79 147.49 28.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.033 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.8 p -81.07 175.2 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.57 -28.83 67.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -45.55 88.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -52.07 60.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.405 ' CE2' ' OD2' ' A' ' 55' ' ' ASP . 28.7 m-85 -63.06 -26.63 68.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.26 -34.82 71.07 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.52 ' O ' HG13 ' A' ' 20' ' ' VAL . 30.1 t80 -61.69 -36.79 81.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.938 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.747 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -69.96 -33.48 72.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.378 179.459 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.79 -34.21 62.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.54 -48.08 17.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.998 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 17' ' ' LEU . 2.4 m -61.11 -45.76 97.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 CA-C-O 120.932 0.396 . . . . 0.0 110.468 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 67' ' ' LYS . 86.7 mt -66.33 -21.95 66.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.664 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.77 -36.69 50.29 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.474 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.476 ' SG ' HG22 ' A' ' 116' ' ' ILE . 1.3 m -44.29 153.58 0.14 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.4 -47.78 9.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.37 140.77 48.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 111.365 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.754 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.5 t -122.52 107.28 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.792 ' NH2' ' HB2' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -129.83 -175.66 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.58 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.424 ' HB2' HD11 ' A' ' 86' ' ' ILE . 43.8 t -109.7 147.06 33.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -70.99 -48.45 53.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -25.46 22.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.659 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -154.71 73.92 0.92 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.561 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' ' 27' ' ' ARG . 1.2 mt -74.36 -18.07 60.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.384 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -81.99 0.94 37.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.56 155.8 6.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.998 0.428 . . . . 0.0 111.551 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.792 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . . . -79.24 177.53 8.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.893 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.503 ' HB3' ' HG2' ' A' ' 40' ' ' GLN . 5.0 mp -96.54 -66.91 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.87 150.57 2.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.586 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 p -49.75 -45.27 49.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.973 0.416 . . . . 0.0 110.5 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -75.1 -34.43 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.543 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.503 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 1.6 tp-100 -57.74 -58.86 6.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.961 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.66 -32.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.945 0.402 . . . . 0.0 110.7 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.98 89.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -57.05 -56.38 22.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.492 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -64.92 -33.72 76.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.241 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' O ' HD11 ' A' ' 68' ' ' LEU . 1.6 mtm180 -63.1 -34.08 76.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.747 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -38.61 65.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.061 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.5 mt -52.27 -61.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.747 ' HB3' HD21 ' A' ' 17' ' ' LEU . 2.6 mt -59.05 -49.74 76.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 110.406 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.418 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 23.3 t-20 -54.68 -29.9 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.705 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.606 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -68.96 -28.22 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -70.18 -33.13 71.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.989 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.747 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.2 OUTLIER -66.63 -56.41 10.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.881 -179.133 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CD ' ' HA ' ' A' ' 50' ' ' ALA . 3.0 pt20 -54.46 -21.25 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 50' ' ' ALA . 2.7 m -94.98 22.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.696 0.284 . . . . 0.0 111.449 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD2' ' CE2' ' A' ' 14' ' ' PHE . 5.9 t0 -103.41 153.83 20.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.674 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -77.86 -35.54 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.042 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -81.14 99.11 8.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.23 86.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.27 78.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -65.22 -34.55 78.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -60.16 -49.28 78.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -51.78 -36.38 47.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -63.8 -48.89 75.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.7 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.21 -43.71 70.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.613 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.747 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -56.16 -37.85 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.37 -31.58 42.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.553 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -69.89 -33.21 71.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.372 179.567 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' ' 45' ' ' ARG . 2.3 tt -76.65 -24.97 53.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.755 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.55 -20.74 22.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.404 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.21 16.87 23.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.69 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.754 ' CE2' HG11 ' A' ' 26' ' ' VAL . 1.9 t80 -59.0 135.38 57.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.16 31.67 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.239 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.85 151.73 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.42 94.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -140.88 158.47 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.88 126.24 43.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.543 HG12 HG21 ' A' ' 119' ' ' VAL . 10.6 t -81.53 160.86 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.575 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.475 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -150.17 164.07 36.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.409 -179.212 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -61.31 145.73 50.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.04 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.64 -31.13 7.08 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -83.36 -158.13 0.28 Allowed 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.27 166.3 29.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.07 0.462 . . . . 0.0 111.588 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.588 ' CG2' HD21 ' A' ' 101' ' ' LEU . 64.3 t -132.29 121.84 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.217 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.535 HG13 HG13 ' A' ' 26' ' ' VAL . 7.7 p -92.85 131.43 39.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.061 0.457 . . . . 0.0 111.464 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.774 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.3 t -108.47 121.84 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.649 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.424 HD11 ' HB2' ' A' ' 28' ' ' SER . 1.8 pt -60.0 -19.34 17.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.801 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -102.04 -44.77 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.42 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.508 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.71 -170.36 23.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.629 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.462 HD23 ' SG ' ' A' ' 117' ' ' CYS . 2.8 tp -178.22 159.18 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.742 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -161.52 43.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -177.55 158.57 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.922 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -63.77 117.4 6.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.259 179.503 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -127.12 125.29 40.96 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.799 ' HA ' HG12 ' A' ' 100' ' ' VAL . 31.3 t-80 -55.76 149.42 14.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.968 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 96' ' ' LYS . 80.6 t80 -127.37 -30.24 2.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.407 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.45 148.13 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.732 0.301 . . . . 0.0 111.086 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.8 t70 46.67 -89.82 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.222 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' LYS . 57.3 m-20 -141.03 15.31 2.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.674 0.273 . . . . 0.0 111.146 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 121' ' ' LYS . 44.8 mt -98.69 124.59 43.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.168 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 94' ' ' HIS . 36.0 m -110.06 178.47 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.389 0.614 . . . . 0.0 112.05 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.588 HD21 ' CG2' ' A' ' 83' ' ' VAL . 18.3 mt -121.17 123.6 42.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.254 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.922 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.0 t -105.05 136.9 19.11 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.071 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.84 123.33 8.31 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.497 2.131 . . . . 0.0 111.422 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 104' ' ' LEU . 12.0 tp -118.91 -51.33 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.698 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.457 ' HB ' HG13 ' A' ' 116' ' ' ILE . 24.2 m -159.31 124.11 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.966 0.412 . . . . 0.0 111.624 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.586 HG23 ' OG1' ' A' ' 115' ' ' THR . 62.6 m -118.28 112.63 20.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.796 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 6.4 mttt -134.81 148.98 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.572 HG22 ' HA ' ' A' ' 113' ' ' ARG . 21.2 t -107.5 129.25 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.02 115.86 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.458 ' HA2' ' HB2' ' A' ' 4' ' ' ALA . . . 79.2 2.2 86.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.936 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.95 27.32 5.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.526 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.502 ' C ' HG13 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -139.54 119.74 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.572 ' HA ' HG22 ' A' ' 108' ' ' VAL . 0.1 OUTLIER -59.28 141.01 55.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 37.8 t -140.64 104.19 4.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.586 ' OG1' HG23 ' A' ' 106' ' ' THR . 96.4 m -109.16 141.47 41.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.923 0.392 . . . . 0.0 111.215 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.476 HG22 ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -122.19 142.29 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.323 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.541 ' HB2' HD22 ' A' ' 101' ' ' LEU . 75.6 m -134.94 138.73 44.34 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.9 139.03 50.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.773 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.543 HG21 HG12 ' A' ' 77' ' ' VAL . 2.7 t -87.82 114.37 26.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.794 0.33 . . . . 0.0 110.351 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.13 150.09 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.478 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.748 ' HA ' HD23 ' A' ' 99' ' ' LEU . 11.6 tppt? -74.44 146.46 42.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.063 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.49 127.57 32.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.038 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.875 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.806 HD22 ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -163.33 121.5 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.044 0.45 . . . . 0.0 111.036 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 61.72 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.191 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -50.99 -32.26 20.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.86 0.362 . . . . 0.0 111.236 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.6 m -81.02 -28.6 35.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mt 60.86 171.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.22 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.67 118.22 6.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.723 HD13 ' OD2' ' A' ' 13' ' ' ASP . 55.9 mt -74.0 158.65 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.6 p -77.31 175.68 9.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -62.32 -32.66 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -32.05 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.723 ' OD2' HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -67.24 -52.07 45.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.816 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CE1' ' HA ' ' A' ' 52' ' ' LEU . 82.8 m-85 -70.18 -26.8 64.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -73.31 -34.22 65.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.19 0.519 . . . . 0.0 109.78 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.527 ' O ' HG13 ' A' ' 20' ' ' VAL . 70.4 t80 -61.75 -36.69 81.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.133 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.881 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -68.28 -33.6 74.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.619 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -35.92 68.21 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.64 -47.06 20.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.216 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.775 HG22 ' HA ' ' A' ' 17' ' ' LEU . 3.9 m -63.83 -33.31 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 CA-C-O 120.98 0.419 . . . . 0.0 110.496 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.034 HD21 HD12 ' A' ' 68' ' ' LEU . 45.0 mt -79.68 -13.76 59.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.816 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.42 -24.12 18.16 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.043 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.438 ' SG ' HG12 ' A' ' 84' ' ' VAL . 14.2 p -47.54 170.98 0.01 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.775 0.321 . . . . 0.0 111.105 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.821 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -107.66 -29.14 9.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.228 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.486 ' HB2' ' CG2' ' A' ' 77' ' ' VAL . . . -131.77 143.95 50.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 111.542 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.796 HG11 ' CE2' ' A' ' 71' ' ' PHE . 21.9 t -132.78 112.71 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.497 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.887 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -158.12 137.41 11.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.389 -179.448 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 p -69.62 143.13 53.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -58.12 -42.19 85.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mmt -51.92 -29.39 19.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.964 0.411 . . . . 0.0 111.012 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -152.94 66.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.887 HD23 ' HB3' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -64.1 -18.01 63.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.47 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.21 12.6 36.65 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.56 141.94 7.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.924 0.392 . . . . 0.0 111.587 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.81 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . . . -80.17 177.44 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.859 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HB3' ' HG2' ' A' ' 40' ' ' GLN . 5.1 mp -90.85 -66.93 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.621 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -171.73 167.27 6.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.693 179.657 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 m -57.1 -53.04 62.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.408 ' CE2' ' OE1' ' A' ' 40' ' ' GLN . 51.9 p90 -74.9 -34.28 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.421 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -55.28 -52.86 62.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.019 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 37' ' ' THR . 57.5 t -55.87 -42.33 70.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.816 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.31 83.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.09 -47.48 80.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.418 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.594 ' HA ' HD12 ' A' ' 47' ' ' ILE . 55.5 t80 -67.83 -40.57 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.106 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' HB3' HD23 ' A' ' 68' ' ' LEU . 23.2 mtm105 -63.1 -32.04 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.474 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -68.16 -33.38 74.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.55 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 44' ' ' TYR . 54.9 mt -58.51 -60.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.533 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.958 HD21 HG21 ' A' ' 109' ' ' VAL . 10.0 mt -64.13 -44.37 92.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.386 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.816 ' HA ' HD21 ' A' ' 52' ' ' LEU . 22.4 t-20 -52.45 -31.33 34.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.66 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.61 -27.96 58.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.525 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.465 ' OG ' HD12 ' A' ' 9' ' ' LEU . 11.9 t -73.37 -35.33 65.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.816 HD21 ' HA ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER -74.5 -53.24 9.86 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.876 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.598 ' HB3' ' HE3' ' A' ' 65' ' ' MET . 9.9 pt20 -46.41 -25.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -91.25 22.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 8.6 t70 -80.12 168.01 19.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.827 0.346 . . . . 0.0 110.702 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -69.74 -34.31 73.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -107.14 110.36 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.1 77.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.59 91.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -32.33 70.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.2 m -62.19 -38.33 88.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -38.91 84.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 -60.28 -40.08 89.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.521 HD12 ' CB ' ' A' ' 52' ' ' LEU . 1.1 mt -70.14 -36.8 75.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.598 ' HE3' ' HB3' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -59.4 -35.17 73.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.35 -33.37 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.331 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.491 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -67.93 -30.76 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.261 179.506 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.034 HD12 HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -76.4 -28.32 56.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.516 179.518 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.39 -25.09 33.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.036 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.778 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -104.84 16.84 25.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.249 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.796 ' CE2' HG11 ' A' ' 26' ' ' VAL . 15.5 t80 -60.86 130.6 47.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.72 66.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.055 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.778 HG13 ' O ' ' A' ' 70' ' ' ASP . 3.9 m -103.83 155.74 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -76.84 89.88 3.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -142.28 160.02 41.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -89.57 124.81 34.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.821 HG22 ' HB3' ' A' ' 24' ' ' ARG . 23.9 t -81.56 141.65 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.78 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.72 161.41 22.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.349 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.436 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.17 149.8 40.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.135 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.21 -31.15 6.17 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.02 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -75.1 -158.13 0.07 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.432 ' HG2' HD22 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -150.2 157.67 43.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.102 0.477 . . . . 0.0 111.4 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.587 HG23 HD21 ' A' ' 101' ' ' LEU . 92.6 t -126.99 119.73 53.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.334 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.614 HG12 HG22 ' A' ' 26' ' ' VAL . 10.0 p -92.72 118.74 39.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.234 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 27' ' ' ARG . 11.6 t -94.75 133.21 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.403 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mt -67.89 -17.97 23.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.714 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.626 ' H ' HG12 ' A' ' 85' ' ' VAL . 9.2 t0 -104.61 -43.91 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.85 0.357 . . . . 0.0 110.139 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.512 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.33 -172.88 22.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.669 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.874 ' O ' HG21 ' A' ' 115' ' ' THR . 14.6 tp -177.88 136.78 0.18 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.724 0.297 . . . . 0.0 110.487 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -140.46 48.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.717 0.294 . . . . 0.0 111.334 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.99 160.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.033 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.935 ' HG3' HG22 ' A' ' 102' ' ' VAL . 3.4 ttt -67.58 123.74 21.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.315 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -134.1 126.23 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.87 ' HA ' HG12 ' A' ' 100' ' ' VAL . 16.1 t-80 -60.11 145.28 47.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CE2' ' HB ' ' A' ' 77' ' ' VAL . 84.0 t80 -123.56 -27.45 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.398 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.61 144.42 0.17 Allowed 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.672 0.273 . . . . 0.0 111.169 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.56 -89.77 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.7 OUTLIER -139.66 11.34 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.641 0.258 . . . . 0.0 111.406 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 121' ' ' LYS . 43.0 mt -93.9 121.76 35.69 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.781 0.324 . . . . 0.0 110.197 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.87 HG12 ' HA ' ' A' ' 94' ' ' HIS . 28.8 m -110.11 175.23 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.288 0.566 . . . . 0.0 111.597 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.587 HD21 HG23 ' A' ' 83' ' ' VAL . 16.1 mt -118.2 123.33 45.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.127 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.935 HG22 ' HG3' ' A' ' 92' ' ' MET . 18.9 t -106.41 135.22 19.52 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.65 123.51 8.34 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.5 2.133 . . . . 0.0 111.468 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' A' ' 118' ' ' ASP . 3.0 tp -117.67 -51.75 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.987 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.1 m -156.04 128.53 7.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.936 0.398 . . . . 0.0 112.062 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 89.9 m -117.85 104.94 11.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.5 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 9.8 ttmt -121.71 125.93 47.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.31 137.3 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.958 HG21 HD21 ' A' ' 48' ' ' LEU . 14.9 m -136.4 117.49 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.231 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.3 44.39 95.1 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.98 26.81 74.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.558 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.09 140.63 45.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.316 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 11.7 mtm-85 -81.58 140.17 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 17.7 t -140.62 93.94 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.767 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.874 HG21 ' O ' ' A' ' 89' ' ' LEU . 89.2 m -99.67 144.8 28.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.085 0.469 . . . . 0.0 111.344 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.6 HG23 ' HB3' ' A' ' 104' ' ' LEU . 3.3 tt -122.65 137.23 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.38 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.723 ' SG ' HD23 ' A' ' 89' ' ' LEU . 66.2 m -128.33 142.22 51.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.657 ' HB2' HD13 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -75.21 141.65 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.816 178.645 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 4.1 t -93.39 110.7 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.797 0.332 . . . . 0.0 110.376 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.14 151.2 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.475 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.559 ' HA ' HD23 ' A' ' 99' ' ' LEU . 5.2 ttmt -74.56 150.66 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.976 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -70.1 104.42 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.961 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.663 ' O ' HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER 59.83 172.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.48 -36.57 45.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.79 -27.1 11.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 2' ' ' LEU . 6.6 t -57.73 -23.04 49.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.4 mt 61.79 31.61 18.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.649 ' H ' HG23 ' A' ' 5' ' ' THR . . . 60.12 60.32 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . 71.45 110.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.699 HD13 ' OD2' ' A' ' 13' ' ' ASP . 41.2 mt -57.32 138.84 54.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.045 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.9 p -80.14 175.26 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -30.06 69.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.84 -31.31 66.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.699 ' OD2' HD13 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -63.93 -52.16 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.517 ' HE2' ' HA ' ' A' ' 52' ' ' LEU . 94.5 m-85 -72.77 -28.32 62.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.985 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -36.63 62.02 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -63.12 -36.55 83.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.092 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -63.59 -37.93 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.62 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -33.48 67.93 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -49.24 14.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.496 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.998 HG23 HG21 ' A' ' 84' ' ' VAL . 6.9 p -54.38 -30.48 21.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-O 120.822 0.344 . . . . 0.0 111.249 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.651 HD22 ' HA ' ' A' ' 68' ' ' LEU . 75.2 mt -85.46 -35.8 21.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.688 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -21.1 62.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.793 ' SG ' HD11 ' A' ' 116' ' ' ILE . 33.7 m -55.2 162.25 1.49 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.42 -31.92 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.28 145.07 50.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.943 0.401 . . . . 0.0 111.455 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 71' ' ' PHE . 22.5 t -132.4 107.4 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.729 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.898 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -140.04 -175.55 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.686 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.753 ' HB2' HD11 ' A' ' 86' ' ' ILE . 1.6 t -111.63 145.18 39.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -65.35 -41.77 93.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.591 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.52 -27.03 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.67 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -153.63 69.79 0.82 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.898 HD23 ' HB3' ' A' ' 27' ' ' ARG . 5.3 mt -70.65 -18.07 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -76.39 -27.65 56.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.504 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -142.56 144.19 32.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 111.61 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.59 177.53 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 37' ' ' THR . 4.7 mp -86.28 -66.79 0.86 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 176.28 165.85 0.43 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.726 179.53 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.6 t -55.35 -45.66 76.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.638 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -34.56 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.635 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' NE2' HD23 ' A' ' 36' ' ' LEU . 5.0 mm-40 -61.08 -46.0 92.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' THR . 28.7 t -71.75 -38.29 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.96 95.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.068 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -57.13 -39.39 75.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.593 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.876 ' HA ' HD12 ' A' ' 47' ' ' ILE . 14.0 t80 -74.99 -38.22 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.48 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HB3' HD21 ' A' ' 68' ' ' LEU . 33.4 mtm180 -59.52 -46.79 87.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.791 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.14 -32.81 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.399 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 44' ' ' TYR . 54.1 mt -58.22 -61.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.194 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.791 HD12 HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -68.83 -38.32 79.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.399 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.617 ' HA ' HD21 ' A' ' 52' ' ' LEU . 10.0 t30 -57.33 -33.19 67.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.149 0.5 . . . . 0.0 109.858 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . . . -71.12 -27.25 63.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.103 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -40.99 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.61 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.617 HD21 ' HA ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -76.24 -23.9 54.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.223 0.535 . . . . 0.0 110.978 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.514 ' HG3' ' CE ' ' A' ' 65' ' ' MET . 0.1 OUTLIER -49.71 -45.02 48.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.999 -179.754 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.26 22.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.136 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -73.81 139.84 45.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.766 0.317 . . . . 0.0 110.799 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -63.63 -31.08 72.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.97 101.1 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.32 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.42 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -33.99 73.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 t -58.86 -49.53 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -35.92 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.93 94.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.685 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 64' ' ' LEU . 2.1 mt -70.13 -34.25 72.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.526 ' HE2' HD11 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -65.44 -31.71 72.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.71 -39.46 27.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.482 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.637 ' HB2' HD13 ' A' ' 21' ' ' LEU . 13.7 mtpt -74.47 -37.94 63.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.319 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.824 HD23 ' O ' ' A' ' 68' ' ' LEU . 6.4 tt -76.89 -20.4 56.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.784 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -55.27 -27.53 47.21 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.744 ' CG ' HG22 ' A' ' 73' ' ' VAL . 5.7 t0 -109.69 -34.62 6.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.801 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CE2' HG11 ' A' ' 26' ' ' VAL . 5.0 t80 48.05 -85.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.752 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.543 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -88.34 89.19 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 111.024 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.744 HG22 ' CG ' ' A' ' 70' ' ' ASP . 3.2 t -103.19 140.23 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.7 89.88 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.742 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -134.22 139.82 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.71 122.71 17.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.771 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.562 HG21 ' CZ ' ' A' ' 95' ' ' PHE . 5.8 t -81.5 155.46 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.16 163.03 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.525 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.401 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -64.7 149.78 48.46 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.14 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -31.15 6.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.114 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.71 -159.97 0.32 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.414 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 4.2 mtm180 -148.65 156.43 42.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.11 0.481 . . . . 0.0 111.586 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.63 HG23 HD21 ' A' ' 101' ' ' LEU . 61.4 t -121.33 127.51 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.174 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.998 HG21 HG23 ' A' ' 20' ' ' VAL . 11.4 p -92.83 133.99 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.439 . . . . 0.0 111.601 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.59 HG11 ' HB2' ' A' ' 29' ' ' ALA . 4.1 t -116.14 111.87 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.747 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.753 HD11 ' HB2' ' A' ' 28' ' ' SER . 37.2 pt -53.93 -22.03 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.163 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.641 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 11.4 t0 -95.42 -44.19 7.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.068 0.461 . . . . 0.0 109.899 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.537 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.85 -173.52 21.8 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.335 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.843 ' O ' HG21 ' A' ' 115' ' ' THR . 3.9 mt -177.92 119.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.715 0.293 . . . . 0.0 110.573 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -126.11 40.88 3.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.344 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.439 HH11 HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -177.18 154.71 1.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.945 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.2 ttt -57.4 126.58 27.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.68 126.48 22.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.835 ' HA ' HG12 ' A' ' 100' ' ' VAL . 29.2 t-80 -55.27 149.02 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 91.4 t80 -129.2 -28.0 2.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.441 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' ASP . 16.9 ttpt 179.69 143.74 0.16 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.698 0.285 . . . . 0.0 111.167 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.58 -89.43 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.0 m-20 -140.01 15.14 2.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.683 0.277 . . . . 0.0 111.143 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.783 HD23 ' HA ' ' A' ' 121' ' ' LYS . 47.0 mt -97.78 125.0 42.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.18 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.835 HG12 ' HA ' ' A' ' 94' ' ' HIS . 30.7 m -109.95 177.92 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.388 0.613 . . . . 0.0 111.757 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.63 HD21 HG23 ' A' ' 83' ' ' VAL . 17.0 mt -122.25 123.39 41.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.235 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.945 HG22 ' HG3' ' A' ' 92' ' ' MET . 18.9 t -105.66 135.31 19.4 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.67 123.37 8.17 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.477 2.118 . . . . 0.0 111.604 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.614 ' HB3' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -119.81 -51.65 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.641 -179.116 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.4 m -154.61 123.74 6.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.113 0.482 . . . . 0.0 111.93 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.677 HG23 ' OG1' ' A' ' 115' ' ' THR . 21.0 m -116.4 111.03 19.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.764 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -131.71 119.94 22.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.57 120.16 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.068 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 m -116.09 121.6 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.33 -65.79 0.99 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.53 35.15 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.434 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.41 125.38 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 9.0 mtm180 -64.92 112.43 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.73 94.63 5.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.843 HG21 ' O ' ' A' ' 89' ' ' LEU . 99.3 m -96.86 142.56 28.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 110.841 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.793 HD11 ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -117.76 140.21 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.536 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.603 ' HB2' HD22 ' A' ' 101' ' ' LEU . 70.2 m -135.66 138.98 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.414 ' HA ' ' HG3' ' A' ' 82' ' ' ARG . 21.4 t0 -72.43 138.36 47.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.034 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 2.2 t -87.94 112.63 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.402 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.86 147.24 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 111.487 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.783 ' HA ' HD23 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -74.56 151.73 39.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.169 -179.73 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.4 146.12 27.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.879 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.466 ' O ' HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER 60.9 177.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -45.47 -39.22 6.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.539 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.691 ' O ' HD12 ' A' ' 6' ' ' LEU . . . -55.78 -21.95 21.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.813 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 2' ' ' LEU . 1.9 t -67.27 -46.7 72.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.32 . . . . 0.0 110.814 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.691 HD12 ' O ' ' A' ' 4' ' ' ALA . 1.2 mp 60.42 153.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.211 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 59.04 20.19 8.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.671 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . 173.02 160.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.868 0.365 . . . . 0.0 111.355 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.701 HD13 ' OD1' ' A' ' 13' ' ' ASP . 67.8 mt -134.53 133.77 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.788 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.1 p -69.8 173.95 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.03 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -31.11 69.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.53 -31.35 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.701 ' OD1' HD13 ' A' ' 9' ' ' LEU . 3.4 t70 -66.47 -52.13 49.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -59.47 -26.95 65.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.731 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -73.43 -33.37 64.91 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.616 ' O ' HG13 ' A' ' 20' ' ' VAL . 78.0 t80 -63.31 -36.8 84.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.088 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.739 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.49 -40.34 96.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.221 179.529 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.4 m -54.89 -33.76 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.6 -46.38 22.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.166 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 16' ' ' PHE . 2.6 m -58.97 -46.11 91.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 120.838 0.351 . . . . 0.0 110.715 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.776 HD13 ' HB2' ' A' ' 67' ' ' LYS . 57.6 mt -66.81 -18.61 65.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.879 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -83.25 -28.62 29.05 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.736 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.462 ' SG ' HG21 ' A' ' 116' ' ' ILE . 78.0 m -46.22 170.12 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.854 0.359 . . . . 0.0 111.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.837 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -101.15 -52.21 3.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.233 -179.653 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.601 ' HB2' ' CG2' ' A' ' 77' ' ' VAL . . . -116.28 140.24 49.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 111.302 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -117.42 107.4 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.906 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 0.7 OUTLIER -135.47 174.75 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.407 ' O ' HD12 ' A' ' 32' ' ' LEU . 4.7 t -113.19 150.07 32.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.722 ' HB3' ' CB ' ' A' ' 87' ' ' ASP . . . -65.11 -48.11 74.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.638 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.65 -27.12 25.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.793 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.549 ' OD1' ' HB3' ' A' ' 34' ' ' ALA . 3.5 t-20 -158.85 75.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.586 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -76.02 -17.94 59.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.517 -179.552 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.01 12.43 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.52 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.549 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -178.19 140.34 0.22 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.799 0.333 . . . . 0.0 111.197 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.39 177.54 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD22 ' HG2' ' A' ' 40' ' ' GLN . 5.2 mp -90.84 -66.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.942 0.401 . . . . 0.0 111.007 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -171.9 160.21 5.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.717 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -45.86 78.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.442 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.08 -34.42 61.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.554 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.546 ' HG2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -58.66 -57.23 13.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.013 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 37' ' ' THR . 33.2 t -55.86 -34.99 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.051 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.14 89.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.46 ' O ' HG13 ' A' ' 47' ' ' ILE . 90.7 mt-30 -57.07 -45.22 83.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.386 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -68.72 -38.54 80.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.443 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -62.25 -32.53 73.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -27.13 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.615 HG22 HG12 ' A' ' 109' ' ' VAL . 9.8 mt -62.69 -61.05 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.739 ' HB3' HD21 ' A' ' 17' ' ' LEU . 3.2 mt -67.23 -35.91 80.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.681 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.19 -35.69 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.651 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -69.91 -27.92 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.029 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -33.17 73.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.046 0.45 . . . . 0.0 110.721 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.733 HD12 ' HG2' ' A' ' 65' ' ' MET . 1.0 OUTLIER -61.9 -56.69 16.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.823 -179.299 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -50.06 -25.32 3.32 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.23 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 50' ' ' ALA . 1.3 m -104.11 22.36 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.323 . . . . 0.0 111.445 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -87.79 164.58 15.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.691 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -79.91 -30.89 40.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -102.51 99.64 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.17 84.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.09 76.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -32.22 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -59.97 -39.86 87.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -52.1 -36.88 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -48.61 78.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.719 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.13 -34.26 72.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.733 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -64.71 -34.0 77.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 -179.744 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.7 -40.52 25.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.581 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.776 ' HB2' HD13 ' A' ' 21' ' ' LEU . 3.1 mtpp -72.93 -32.9 65.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.403 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 tt -76.91 -18.95 57.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.74 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -26.52 39.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.888 0.375 . . . . 0.0 110.992 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.705 ' CG ' HG22 ' A' ' 73' ' ' VAL . 3.8 t0 -111.51 -34.58 6.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.751 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 48.7 -84.24 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.98 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 70' ' ' ASP . . . -90.97 89.64 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.705 HG22 ' CG ' ' A' ' 70' ' ' ASP . 2.3 t -104.89 155.47 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.71 90.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -125.66 139.87 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.017 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.55 120.17 20.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.67 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.837 HG22 ' HB3' ' A' ' 24' ' ' ARG . 18.7 t -92.46 138.62 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -145.51 -159.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.419 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.461 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -77.08 143.99 38.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.234 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.37 -31.03 8.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.332 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -83.65 -158.04 0.28 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.1 156.61 33.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.13 0.491 . . . . 0.0 111.418 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.555 ' CG2' HD21 ' A' ' 101' ' ' LEU . 61.9 t -116.04 121.02 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.579 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 84' ' ' VAL . 8.2 p -92.76 119.14 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.993 0.425 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.612 HG11 ' HB2' ' A' ' 29' ' ' ALA . 2.7 t -98.16 121.72 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.873 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mt -56.88 -19.88 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.423 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.722 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -101.62 -44.17 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.111 0.481 . . . . 0.0 109.762 179.132 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.61 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.22 -170.93 23.05 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.371 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.833 ' O ' HG21 ' A' ' 115' ' ' THR . 19.2 tp -177.9 111.14 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 111.012 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.91 51.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.137 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.24 156.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.132 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.909 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -67.49 118.25 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -134.42 126.1 28.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.854 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.723 ' HA ' HG12 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -56.29 152.37 11.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.083 0.468 . . . . 0.0 111.22 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -122.83 -26.6 4.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.203 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 98' ' ' ASP . 22.5 ttpt 179.43 148.4 0.25 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.642 0.258 . . . . 0.0 110.77 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 49.1 -90.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 96' ' ' LYS . 27.9 m-20 -139.43 4.28 2.17 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 121' ' ' LYS . 21.3 mt -84.66 138.95 32.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.723 HG12 ' HA ' ' A' ' 94' ' ' HIS . 32.0 m -121.41 171.43 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.663 0.744 . . . . 0.0 112.428 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.555 HD21 ' CG2' ' A' ' 83' ' ' VAL . 21.0 mt -114.1 123.67 50.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.991 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.909 HG22 ' HG3' ' A' ' 92' ' ' MET . 20.8 t -109.75 136.13 20.36 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.288 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -47.9 122.87 7.74 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.586 2.191 . . . . 0.0 111.59 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 tp -124.3 -39.63 2.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.483 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.591 ' HB ' HG13 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -152.12 150.79 30.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.652 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.479 HG23 ' OG1' ' A' ' 115' ' ' THR . 86.3 m -147.81 106.72 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.434 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -130.51 133.87 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.061 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.574 HG22 ' CG ' ' A' ' 113' ' ' ARG . 20.9 t -100.4 141.8 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.71 HG11 HD22 ' A' ' 48' ' ' LEU . 20.9 t -142.47 115.39 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.223 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.21 29.08 69.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.51 5.27 84.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.814 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.523 ' C ' HG13 ' A' ' 108' ' ' VAL . 44.7 m -116.23 122.75 45.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.574 ' CG ' HG22 ' A' ' 108' ' ' VAL . 2.9 mtt-85 -70.19 148.94 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.9 t -140.59 93.21 2.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.66 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.833 HG21 ' O ' ' A' ' 89' ' ' LEU . 63.0 m -103.49 143.76 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.115 0.483 . . . . 0.0 111.365 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -121.3 141.96 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.365 178.225 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.691 ' SG ' HD23 ' A' ' 89' ' ' LEU . 84.7 m -131.91 133.67 44.83 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.74 136.11 50.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.092 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 78' ' ' THR . 2.1 t -86.4 113.68 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.777 0.322 . . . . 0.0 110.319 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.0 146.14 34.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.979 0.419 . . . . 0.0 111.555 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.67 ' HA ' HD23 ' A' ' 99' ' ' LEU . 3.7 ttmm -74.56 136.84 42.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.126 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -81.62 123.33 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.808 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.992 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.549 -0.221 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 2' ' ' LEU . 0.5 OUTLIER -132.7 112.24 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 0.0 110.94 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 66.91 -64.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.256 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -46.2 -29.59 1.64 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.495 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 t -60.28 -33.33 72.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.752 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.554 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.4 OUTLIER 60.92 112.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.043 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . 76.79 134.53 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.81 73.22 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 3.4 mt -73.45 144.44 46.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.147 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.7 p -99.17 -178.9 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -52.62 -29.84 28.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.41 -31.29 67.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 12.1 t70 -58.81 -50.37 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.403 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 6.4 m-85 -62.26 -26.61 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -34.25 74.73 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 20' ' ' VAL . 26.4 t80 -62.62 -36.73 83.71 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.827 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.646 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -68.36 -34.81 76.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.46 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.4 t -55.05 -36.54 65.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.23 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.05 -39.3 50.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.506 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.781 HG13 HG21 ' A' ' 84' ' ' VAL . 48.7 t -60.39 -52.08 65.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.914 0.388 . . . . 0.0 110.242 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 67' ' ' LYS . 5.7 mt -61.66 -20.04 62.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.012 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.66 -21.78 32.34 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.012 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 13.2 p -44.9 162.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 111.269 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.628 ' HB3' HG22 ' A' ' 77' ' ' VAL . 2.3 mpt_? -101.8 -30.81 11.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.64 144.45 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.354 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.575 HG11 ' CE2' ' A' ' 71' ' ' PHE . 40.7 t -121.82 127.69 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.735 ' HB3' HD23 ' A' ' 32' ' ' LEU . 4.7 mmt-85 -148.4 -176.04 5.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.589 ' OG ' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.95 139.38 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.75 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -66.06 -45.03 82.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.49 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -57.39 -26.29 60.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.723 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.72 66.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.653 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 27' ' ' ARG . 1.0 OUTLIER -70.78 -18.23 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.202 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -77.38 -4.02 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.486 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.93 136.43 1.52 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.819 0.342 . . . . 0.0 111.365 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.56 177.51 2.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.746 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 36' ' ' LEU . 4.1 mp -87.61 -66.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 111.076 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.23 149.99 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.609 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.18 -42.29 29.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -74.94 -34.53 62.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.482 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.527 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -60.23 -58.81 6.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.054 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.82 HG11 ' CB ' ' A' ' 72' ' ' ALA . 46.0 t -61.6 -37.59 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.71 79.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.738 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -57.16 -36.74 71.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.025 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.624 ' HA ' HD12 ' A' ' 47' ' ' ILE . 18.9 t80 -70.91 -35.01 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.995 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.417 ' HG3' ' CD2' ' A' ' 71' ' ' PHE . 10.7 mtp180 -62.87 -37.41 86.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.553 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -34.5 77.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.704 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 44' ' ' TYR . 77.7 mt -54.89 -60.96 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.646 ' HB3' HD21 ' A' ' 17' ' ' LEU . 8.8 mt -60.89 -37.82 83.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.222 0.534 . . . . 0.0 109.801 178.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.66 -35.59 72.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.38 -27.98 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.449 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.14 -33.42 75.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.519 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.886 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.04 -23.89 58.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.361 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -62.69 1.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.33 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -61.05 -19.36 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.62 -178.637 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' OD2' ' CZ ' ' A' ' 14' ' ' PHE . 14.3 t70 -47.93 148.73 1.56 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.775 0.321 . . . . 0.0 111.244 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -73.54 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.9 95.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.93 71.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.32 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -31.95 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.9 p -56.34 -44.75 80.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -52.39 -33.89 45.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.332 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -57.38 -47.44 81.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.886 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.22 -34.29 72.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.503 179.742 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.844 ' HG2' HD12 ' A' ' 52' ' ' LEU . 4.0 mtt -61.42 -30.05 70.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.5 -34.88 40.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.416 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HB2' HD13 ' A' ' 21' ' ' LEU . 6.9 mtpt -69.63 -30.04 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.164 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.414 HD11 ' O ' ' A' ' 45' ' ' ARG . 5.2 tt -76.76 -25.69 53.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.623 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.95 -30.9 62.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.49 16.88 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.225 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.583 ' HE1' HG12 ' A' ' 20' ' ' VAL . 24.7 t80 -71.11 139.54 50.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.362 . . . . 0.0 111.267 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.82 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 59.85 31.05 20.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.577 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 74' ' ' GLU . 92.9 t -100.49 155.76 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.858 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' HG12 ' A' ' 73' ' ' VAL . 11.0 mt-10 -69.16 93.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.917 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -123.61 148.33 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.74 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.52 120.52 21.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.03 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 24' ' ' ARG . 46.8 t -81.59 158.45 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.49 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -155.31 159.21 39.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.198 -179.278 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.83 149.86 46.05 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.156 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.08 -31.01 6.56 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.024 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -158.09 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.484 ' HB3' HG12 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -148.15 153.91 39.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.049 0.452 . . . . 0.0 111.67 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.404 HG23 HG22 ' A' ' 119' ' ' VAL . 46.2 t -114.93 119.97 63.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.32 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.781 HG21 HG13 ' A' ' 20' ' ' VAL . 14.5 p -95.91 127.29 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.994 0.426 . . . . 0.0 111.49 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.679 HG11 ' HB2' ' A' ' 29' ' ' ALA . 2.4 t -109.76 131.0 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.71 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 28' ' ' SER . 35.2 pt -70.6 -10.17 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 7.3 m-20 -109.21 -44.59 3.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.979 0.419 . . . . 0.0 110.184 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.489 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 135.91 -174.88 21.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.56 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.85 ' O ' HG21 ' A' ' 115' ' ' THR . 16.3 tp -177.92 106.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 110.649 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -99.59 -26.01 14.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.73 153.04 21.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.428 ' SD ' HG22 ' A' ' 102' ' ' VAL . 30.2 ttp -70.05 135.31 49.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -145.57 150.43 36.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.305 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.4 OUTLIER -83.73 152.5 24.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.947 0.403 . . . . 0.0 110.859 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.627 ' HB2' HD21 ' A' ' 101' ' ' LEU . 50.2 t80 -109.47 -30.97 7.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 98' ' ' ASP . 17.5 pttp 178.98 154.73 0.43 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.787 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.25 -88.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.029 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LYS . 12.0 m-20 -141.0 4.19 1.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.458 HD22 HG12 ' A' ' 119' ' ' VAL . 14.5 mt -74.62 119.57 19.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.585 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -110.18 137.66 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.066 0.46 . . . . 0.0 111.404 -179.414 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 95' ' ' PHE . 1.5 mt -97.73 123.72 41.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.478 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.428 HG22 ' SD ' ' A' ' 92' ' ' MET . 22.0 t -107.74 137.43 19.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.409 ' HD2' HG13 ' A' ' 102' ' ' VAL . 5.5 Cg_endo -47.41 123.57 8.13 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.689 2.259 . . . . 0.0 112.018 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.653 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.5 tp -118.71 -51.38 2.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.653 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.502 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.4 m -154.16 127.47 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.943 0.401 . . . . 0.0 111.819 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.466 HG23 ' OG1' ' A' ' 115' ' ' THR . 91.7 m -119.85 104.54 10.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.769 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.454 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -130.77 147.74 52.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.5 t -106.05 140.82 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' A' ' 48' ' ' LEU . 7.2 p -142.64 130.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.28 -62.06 3.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.12 41.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -163.82 133.37 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 146.11 49.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.0 m -140.51 98.56 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.199 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.85 HG21 ' O ' ' A' ' 89' ' ' LEU . 97.7 m -103.56 143.52 32.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 0.0 110.992 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.653 HG23 ' HB3' ' A' ' 104' ' ' LEU . 3.9 tt -122.73 141.69 42.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.998 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.615 ' SG ' HD23 ' A' ' 89' ' ' LEU . 61.0 m -134.21 138.1 44.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 112.057 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.16 148.81 50.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.867 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.458 HG12 HD22 ' A' ' 99' ' ' LEU . 2.4 t -97.1 103.05 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.031 0.444 . . . . 0.0 110.594 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -127.06 139.77 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.967 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -74.5 130.67 40.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.55 98.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.9 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.805 ' O ' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER 60.4 -179.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.818 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -47.16 -38.56 11.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.096 0.474 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.63 -29.26 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.346 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.805 HG22 ' O ' ' A' ' 2' ' ' LEU . 4.8 t -68.0 -20.49 65.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.812 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.526 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.6 mt 64.34 86.01 0.13 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 75.65 -70.24 0.15 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.718 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . 170.48 131.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.052 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.782 HD22 ' OD2' ' A' ' 13' ' ' ASP . 38.2 mt -111.68 135.16 52.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 12' ' ' ASP . 9.7 t -103.17 -178.95 3.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.826 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -28.13 16.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.607 ' H ' HG23 ' A' ' 10' ' ' THR . 8.0 t70 -63.43 -42.38 98.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.782 ' OD2' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -59.58 -52.14 66.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 38.5 m-85 -67.79 -26.87 66.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.711 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -34.02 66.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' O ' HG23 ' A' ' 20' ' ' VAL . 82.4 t80 -62.3 -36.77 83.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.06 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.614 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.3 -40.17 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.325 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -35.05 63.56 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.942 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -77.1 -37.83 53.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.231 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.632 HG13 HG21 ' A' ' 84' ' ' VAL . 45.4 t -64.83 -58.53 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.39 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 67' ' ' LYS . 42.9 mt -58.43 -23.5 57.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.839 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.21 -32.05 64.54 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.522 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 m -48.64 176.83 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.27 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.702 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -106.22 -62.96 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.26 140.06 49.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.754 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 1.5 p -124.19 126.32 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.073 0.464 . . . . 0.0 111.246 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.713 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -143.98 -176.49 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.534 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.445 ' N ' HD12 ' A' ' 86' ' ' ILE . 18.6 p -109.61 134.01 52.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.779 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.818 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -57.69 -43.99 85.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.764 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtp -54.82 -25.93 31.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.483 ' OD1' ' HB3' ' A' ' 34' ' ' ALA . 4.4 t-20 -155.65 67.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.572 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.713 HD23 ' CB ' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -68.37 -18.02 64.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.438 -179.755 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -88.34 12.42 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -178.61 141.6 0.21 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.918 0.389 . . . . 0.0 111.633 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.08 177.53 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.731 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.569 HD22 ' HG2' ' A' ' 40' ' ' GLN . 4.9 mp -85.31 -67.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.743 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.883 HG22 ' HB2' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -179.64 -177.28 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 178.653 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 37' ' ' THR . 1.3 m -55.8 -76.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.498 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.697 ' CE2' HG21 ' A' ' 37' ' ' THR . 38.0 p90 -52.79 -37.65 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.659 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.883 ' HB2' HG22 ' A' ' 37' ' ' THR . 0.0 OUTLIER -55.25 -59.01 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.452 HG11 HH21 ' A' ' 45' ' ' ARG . 87.4 t -56.97 -39.6 66.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.911 0.386 . . . . 0.0 110.648 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.51 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.783 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.15 -56.35 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.43 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.501 ' HA ' HD12 ' A' ' 47' ' ' ILE . 3.0 t80 -58.92 -36.68 75.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.245 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.624 HH21 ' HB3' ' A' ' 72' ' ' ALA . 37.5 mtt180 -63.83 -33.83 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.503 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.68 -30.89 64.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 44' ' ' TYR . 64.5 mt -57.81 -61.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.738 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.652 HD23 ' N ' ' A' ' 48' ' ' LEU . 1.5 mt -68.45 -42.11 79.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.465 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -61.16 -30.4 70.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.673 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -72.12 -27.91 62.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -68.43 -33.23 73.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.847 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.6 OUTLIER -61.98 -56.69 16.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.832 -179.277 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -49.31 -25.97 2.77 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 50' ' ' ALA . 1.8 m -105.06 22.33 2.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.745 0.307 . . . . 0.0 111.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 27.3 t0 -93.54 159.62 15.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.809 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -70.54 -45.71 64.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.82 94.73 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.81 -29.78 69.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -40.11 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -32.16 65.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.3 p -61.99 -48.93 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.069 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -53.42 -39.36 64.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.201 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -59.58 -40.85 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -70.3 -38.06 74.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.847 ' HG2' HD12 ' A' ' 52' ' ' LEU . 3.4 mtt -58.16 -31.37 67.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.046 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.48 -34.13 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.621 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HB2' HD13 ' A' ' 21' ' ' LEU . 14.5 mtmt -73.18 -33.04 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.353 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 45' ' ' ARG . 7.2 tt -76.81 -21.55 54.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.833 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.26 -25.49 34.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.257 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -103.39 17.03 25.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.266 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.754 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 28.4 t80 -63.46 129.84 41.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 111.378 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.624 ' HB3' HH21 ' A' ' 45' ' ' ARG . . . 66.53 36.14 5.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.621 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 74' ' ' GLU . 68.7 t -107.29 155.78 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.956 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' N ' HG12 ' A' ' 73' ' ' VAL . 1.8 mm-40 -69.37 91.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -118.5 139.64 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.771 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.33 111.84 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.702 HG22 ' HB3' ' A' ' 24' ' ' ARG . 48.0 t -81.45 157.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.475 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -154.74 160.1 41.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.333 -179.067 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -63.18 149.81 44.46 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.048 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.14 -31.22 6.44 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.18 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.44 -159.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -147.92 153.19 38.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.079 0.466 . . . . 0.0 111.512 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.68 121.64 68.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.279 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.732 HG13 HG23 ' A' ' 26' ' ' VAL . 1.5 p -92.77 126.27 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.49 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 29' ' ' ALA . 16.4 t -108.2 117.33 53.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.911 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.68 HD12 ' C ' ' A' ' 27' ' ' ARG . 2.3 mt -57.93 -16.24 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.511 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -103.08 -44.23 5.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.172 0.51 . . . . 0.0 109.925 179.296 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.495 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.21 -164.37 25.06 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.219 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.868 HD23 ' SG ' ' A' ' 117' ' ' CYS . 12.6 tp -177.85 107.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.952 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.41 41.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.67 157.05 1.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.614 ' CE ' HG22 ' A' ' 102' ' ' VAL . 23.2 ttm -73.73 126.41 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.642 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.59 149.61 44.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.634 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -82.18 152.67 26.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.985 179.695 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.702 ' HB2' HD21 ' A' ' 101' ' ' LEU . 17.3 t80 -110.96 -35.3 5.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.178 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' ASP . 10.6 pttp 178.95 162.48 0.76 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 44.84 -90.41 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.8 m-20 -145.89 12.53 1.27 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.62 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.763 HD22 HG12 ' A' ' 119' ' ' VAL . 13.4 mt -85.04 122.41 29.21 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.531 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -109.9 137.71 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.133 0.492 . . . . 0.0 111.467 -179.023 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 95' ' ' PHE . 0.6 OUTLIER -98.62 123.94 43.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.394 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.614 HG22 ' CE ' ' A' ' 92' ' ' MET . 19.1 t -108.41 131.75 21.56 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.103 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -46.88 123.38 7.2 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.152 1.901 . . . . 0.0 111.669 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.8 tp -121.83 -36.35 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.58 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' A' ' 115' ' ' THR . 42.4 m -163.15 150.85 13.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 111.458 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.662 HG23 ' OG1' ' A' ' 115' ' ' THR . 27.5 m -143.59 114.36 7.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.694 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.431 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 13.0 mttp -129.01 138.7 52.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.029 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.746 HG22 ' HG2' ' A' ' 113' ' ' ARG . 16.2 t -104.67 118.34 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.2 t -115.57 121.52 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.055 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.9 -75.68 1.68 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.567 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -165.26 30.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.424 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -149.14 132.47 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.746 ' HG2' HG22 ' A' ' 108' ' ' VAL . 5.8 mtm-85 -67.14 151.47 47.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 26.4 m -140.48 92.23 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.662 ' OG1' HG23 ' A' ' 106' ' ' THR . 87.7 m -100.36 141.53 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.277 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -123.54 141.97 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.7 178.414 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.868 ' SG ' HD23 ' A' ' 89' ' ' LEU . 41.6 m -132.13 135.22 46.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.988 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.09 147.07 51.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.221 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.763 HG12 HD22 ' A' ' 99' ' ' LEU . 3.1 t -94.97 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.952 0.406 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.428 HG23 HG12 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -125.91 141.17 46.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.841 -179.462 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 135.56 42.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.959 0.409 . . . . 0.0 111.028 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.95 105.16 7.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.971 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.867 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.7 -81.76 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.728 0.299 . . . . 0.0 110.605 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.96 -50.88 7.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.024 0.44 . . . . 0.0 110.282 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.69 -26.49 14.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.614 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 5' ' ' THR . 86.9 m -109.23 33.48 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.288 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 6' ' ' LEU . 7.3 mt -52.09 -24.83 7.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.365 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.62 -54.39 18.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.55 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.559 ' O ' HG22 ' A' ' 5' ' ' THR . . . -167.77 -170.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.254 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.0 mt -120.92 148.44 44.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t -87.69 -179.02 6.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -30.87 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.9 -42.61 85.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.824 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -60.78 -52.08 66.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.631 ' HA ' HD23 ' A' ' 17' ' ' LEU . 21.4 m-85 -62.5 -26.77 68.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -76.43 -30.66 57.5 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.03 0.443 . . . . 0.0 110.113 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 15.6 t80 -72.41 -54.07 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.696 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.953 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -60.67 -36.9 79.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.72 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.519 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 3.3 p -59.56 -32.86 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 109.817 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.36 -26.72 52.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.155 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.953 HG22 ' O ' ' A' ' 17' ' ' LEU . 4.4 m -70.28 -30.71 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.193 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 68' ' ' LEU . 5.2 mt -74.8 -23.45 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -80.37 -23.06 40.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.681 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.682 ' SG ' HG12 ' A' ' 84' ' ' VAL . 3.8 p -47.7 171.14 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.78 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.6 mpt_? -103.46 -24.45 13.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.502 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.619 ' HB2' ' CG2' ' A' ' 77' ' ' VAL . . . -139.13 142.81 38.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 111.423 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG11 ' CE2' ' A' ' 71' ' ' PHE . 40.7 t -126.2 111.6 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.821 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.757 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -143.03 -175.52 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.528 ' OG ' HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -113.67 141.18 47.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . -61.08 -52.83 63.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -25.77 17.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.958 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -151.83 72.95 1.04 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.566 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.757 HD23 ' CB ' ' A' ' 27' ' ' ARG . 1.3 mt -75.85 -17.97 59.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.341 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.29 12.47 13.9 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -172.99 160.76 4.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.898 0.38 . . . . 0.0 111.366 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.678 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -96.77 177.47 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' OG ' ' A' ' 28' ' ' SER . 4.1 mp -95.69 -67.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.676 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 40' ' ' GLN . 5.2 t 171.61 157.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.556 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -38.16 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.355 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -34.69 61.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.625 ' H ' HG23 ' A' ' 37' ' ' THR . 6.3 mm-40 -69.97 -55.68 8.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.04 -37.3 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.713 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.588 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . . . -65.33 -37.58 87.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.058 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -38.07 72.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.082 0.468 . . . . 0.0 109.994 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.886 ' HA ' HD12 ' A' ' 47' ' ' ILE . 9.6 t80 -75.91 -47.68 24.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.485 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.588 ' HG2' ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.98 -26.77 67.8 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.79 -30.35 56.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.699 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' A' ' 44' ' ' TYR . 36.2 mt -58.79 -61.26 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.792 HD12 ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -68.59 -36.78 79.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.686 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -56.92 -37.99 72.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.059 0.457 . . . . 0.0 110.101 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.658 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -68.67 -27.6 66.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.306 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.402 ' HA ' ' CG2' ' A' ' 54' ' ' VAL . 14.3 t -66.74 -33.24 75.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.883 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.817 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -66.88 -39.92 87.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.194 -178.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 2.7 pt20 -79.23 5.29 12.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 50' ' ' ALA . 2.0 m -124.21 22.27 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 111.243 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -97.02 170.85 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.811 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.34 -39.67 20.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -86.54 109.2 18.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.59 86.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.21 94.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -60.31 -50.67 72.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -52.03 -51.62 56.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.0 mtt85 -50.98 -33.76 26.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.0 -44.09 64.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.817 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.17 -38.27 75.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.564 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.649 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -56.73 -35.07 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.925 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.24 -33.98 43.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.15 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB2' HD13 ' A' ' 21' ' ' LEU . 2.2 mtmm -67.29 -28.34 67.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.021 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.792 ' CD1' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.46 -29.81 57.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.303 179.3 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.37 -25.62 59.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.82 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.632 ' OD2' HG11 ' A' ' 73' ' ' VAL . 37.3 t70 -100.53 16.85 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.432 ' CE2' HG11 ' A' ' 26' ' ' VAL . 31.3 t80 -62.61 131.44 49.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 111.179 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.71 34.43 23.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.358 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.632 HG11 ' OD2' ' A' ' 70' ' ' ASP . 9.3 p -74.66 155.98 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.081 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -69.22 96.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -143.79 144.39 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.784 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.12 134.09 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.78 HG22 ' HB3' ' A' ' 24' ' ' ARG . 48.9 t -83.79 155.71 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.701 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.444 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -146.78 157.91 43.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.115 -179.324 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 119' ' ' VAL . . . -61.39 149.26 38.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.144 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.53 -31.12 6.66 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.31 -158.14 0.15 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 158.28 39.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.208 0.527 . . . . 0.0 111.563 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.731 HG23 HD21 ' A' ' 101' ' ' LEU . 45.7 t -120.11 127.94 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.579 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.729 HG21 ' HB ' ' A' ' 20' ' ' VAL . 14.5 p -92.78 131.69 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.123 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.469 HG11 ' HB2' ' A' ' 29' ' ' ALA . 2.4 t -109.64 144.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.053 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 28' ' ' SER . 5.6 pt -81.82 -18.72 11.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.795 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.65 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 50.1 m-20 -105.82 -44.13 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.168 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . 136.26 -174.77 21.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.786 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.807 ' O ' HG21 ' A' ' 115' ' ' THR . 8.3 tp -178.02 115.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.706 0.288 . . . . 0.0 110.79 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.88 44.34 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.202 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.94 153.73 0.84 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.959 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.7 ttt -57.44 124.41 18.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.53 ' HB3' HD21 ' A' ' 89' ' ' LEU . . . -134.05 126.7 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.978 0.418 . . . . 0.0 111.959 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.79 ' HA ' HG12 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -60.03 141.89 54.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.155 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 95' ' ' PHE . 89.5 t80 -134.32 0.64 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.549 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 -167.63 1.53 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.725 0.297 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.42 -46.28 18.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.19 19.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.481 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.647 HD23 ' HA ' ' A' ' 121' ' ' LYS . 28.9 mt -108.34 123.2 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 94' ' ' HIS . 34.4 m -110.07 179.64 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.367 0.603 . . . . 0.0 111.869 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.731 HD21 HG23 ' A' ' 83' ' ' VAL . 14.5 mt -124.65 123.48 40.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.983 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.959 HG22 ' HG3' ' A' ' 92' ' ' MET . 17.0 t -106.09 136.82 19.27 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.036 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.69 123.35 8.16 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.513 2.142 . . . . 0.0 111.59 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.529 ' HB3' HG22 ' A' ' 116' ' ' ILE . 11.2 tp -122.97 -51.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.569 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.515 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.8 m -146.37 123.44 11.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.989 0.423 . . . . 0.0 111.607 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 m -117.43 121.41 40.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.782 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 22.7 mttp -146.09 135.13 22.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.741 HG22 ' HG2' ' A' ' 113' ' ' ARG . 11.8 t -100.1 142.61 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.954 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -142.61 122.79 10.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.035 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.74 34.18 85.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.26 28.55 57.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.401 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.547 ' C ' HG13 ' A' ' 108' ' ' VAL . 50.2 m -138.54 118.76 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.741 ' HG2' HG22 ' A' ' 108' ' ' VAL . 15.4 mtm180 -68.63 146.53 52.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 m -140.56 104.57 4.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.807 HG21 ' O ' ' A' ' 89' ' ' LEU . 98.1 m -108.09 141.17 40.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.125 0.488 . . . . 0.0 111.403 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.529 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -118.93 133.37 65.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.199 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.671 ' HB2' HD22 ' A' ' 101' ' ' LEU . 71.2 m -129.56 140.18 51.3 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.83 138.4 44.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.623 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.621 HG21 ' CG1' ' A' ' 77' ' ' VAL . 2.7 t -87.33 115.65 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.794 0.33 . . . . 0.0 110.33 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.98 149.11 30.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.266 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.647 ' HA ' HD23 ' A' ' 99' ' ' LEU . 28.2 ttmt -74.54 149.36 40.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.52 123.84 33.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.775 -0.13 . . . . 0.0 112.775 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.861 HD13 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -102.43 -84.74 0.45 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.52 0.2 . . . . 0.0 110.636 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.2 p -70.56 -26.64 63.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.851 0.358 . . . . 0.0 110.737 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.07 -23.74 62.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.478 HG22 ' HB3' ' A' ' 8' ' ' ALA . 66.6 m -107.26 -42.32 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt 62.57 137.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.085 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 56.52 30.7 17.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.225 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.478 ' HB3' HG22 ' A' ' 5' ' ' THR . . . -172.98 124.27 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 2' ' ' LEU . 1.1 mt -129.86 163.93 25.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.4 t -70.67 173.15 7.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.781 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.8 -30.72 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -39.89 93.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -52.13 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.45 ' HA ' HD23 ' A' ' 17' ' ' LEU . 40.7 m-85 -59.01 -27.66 65.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.81 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -81.28 -33.42 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.335 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.522 ' HE2' HG22 ' A' ' 105' ' ' THR . 10.7 t80 -73.07 -54.2 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.558 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.988 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -59.48 -36.2 75.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.48 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.474 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -59.31 -33.96 71.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.152 0.501 . . . . 0.0 109.688 179.308 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.31 -24.38 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.089 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.988 HG22 ' O ' ' A' ' 17' ' ' LEU . 4.3 m -71.77 -29.53 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.347 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 68' ' ' LEU . 14.4 mt -76.45 -18.22 58.9 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -25.05 30.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.582 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.523 ' SG ' HG12 ' A' ' 84' ' ' VAL . 7.2 p -50.16 176.62 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.737 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -112.22 2.18 16.51 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.655 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.839 ' HB3' HG13 ' A' ' 83' ' ' VAL . . . -164.65 140.31 5.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.934 0.397 . . . . 0.0 111.576 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.576 HG13 HG13 ' A' ' 84' ' ' VAL . 11.9 t -131.27 107.39 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.589 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.674 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -157.76 134.01 9.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.391 . . . . 0.0 111.115 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.408 ' CB ' ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -65.6 145.19 56.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.242 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -58.42 -44.28 89.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.8 mmt -51.78 -31.0 25.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.717 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.513 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 68.4 m-20 -149.8 64.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.225 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -58.38 -19.64 37.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.618 -179.347 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -109.25 -14.26 14.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.502 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . . . -118.56 140.77 49.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 111.446 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.49 177.52 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.44 -66.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.432 . . . . 0.0 110.743 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.804 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER 176.57 168.59 0.49 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -51.37 -54.24 28.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.115 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 40' ' ' GLN . 55.3 p90 -74.96 -34.54 62.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.451 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 15.3 mt-30 -66.23 -40.18 90.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.328 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 37' ' ' THR . 89.1 t -66.75 -39.7 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 110.798 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.55 -28.01 69.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.519 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -57.02 -44.91 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.529 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.538 ' HA ' HD12 ' A' ' 47' ' ' ILE . 29.5 t80 -69.46 -42.16 75.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.433 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.58 ' HB3' HD21 ' A' ' 68' ' ' LEU . 15.4 mtm180 -59.66 -30.67 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.755 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -72.59 -31.59 65.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.803 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 44' ' ' TYR . 67.2 mt -58.4 -59.45 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD23 ' N ' ' A' ' 48' ' ' LEU . 3.3 mt -66.89 -44.89 79.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.748 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.1 -31.53 67.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.8 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -71.6 -27.98 63.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -33.17 74.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.87 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.856 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.6 OUTLIER -63.59 -56.44 15.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.078 -179.111 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -49.18 -25.55 2.3 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.007 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -103.5 22.27 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.719 0.295 . . . . 0.0 111.316 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 26.9 t0 -98.07 144.78 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.769 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -56.25 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 60' ' ' ARG . 40.6 m-20 -64.81 100.1 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.82 -48.54 68.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.97 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.175 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 4.5 mtt180 -63.16 -43.07 99.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 t -56.06 -33.24 64.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.195 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -63.33 -50.63 69.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.976 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.671 ' HG3' HD23 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -59.38 -32.4 70.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.201 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.816 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -69.79 -42.06 74.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.419 . . . . 0.0 110.149 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.856 ' HG2' HD12 ' A' ' 52' ' ' LEU . 1.8 mtt -58.36 -30.12 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.44 -36.71 33.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.023 0.44 . . . . 0.0 110.324 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.575 ' HB2' HD13 ' A' ' 21' ' ' LEU . 1.2 mtmm -72.16 -32.5 66.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.751 ' HA ' HD22 ' A' ' 21' ' ' LEU . 7.6 tt -74.46 -23.33 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.431 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.35 -31.28 61.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.993 0.425 . . . . 0.0 110.718 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.751 ' OD2' HG11 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -89.49 -34.6 16.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.419 179.649 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.406 ' CD2' ' HD3' ' A' ' 45' ' ' ARG . 45.2 t80 39.53 -92.24 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.963 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -110.89 58.01 0.62 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.9 0.381 . . . . 0.0 111.223 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.751 HG11 ' OD2' ' A' ' 70' ' ' ASP . 8.7 p -73.51 145.11 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.32 91.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.004 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -127.79 158.45 37.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.803 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -84.16 123.6 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.737 HG22 ' HB3' ' A' ' 24' ' ' ARG . 52.1 t -81.55 143.66 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.309 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.63 162.21 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.545 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 119' ' ' VAL . . . -63.3 147.82 50.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.999 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 -31.14 6.66 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -80.7 -158.05 0.18 Allowed 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.16 162.22 40.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.077 0.465 . . . . 0.0 111.367 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.839 HG13 ' HB3' ' A' ' 25' ' ' ALA . 44.9 t -124.3 126.12 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.628 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 84' ' ' VAL . 10.0 p -94.9 109.86 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.05 0.452 . . . . 0.0 111.394 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.676 HG12 ' H ' ' A' ' 87' ' ' ASP . 17.7 t -87.24 133.48 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.38 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.408 ' HB ' ' CB ' ' A' ' 28' ' ' SER . 3.4 mt -70.56 -9.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.676 ' H ' HG12 ' A' ' 85' ' ' VAL . 12.8 t70 -109.65 -44.38 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.413 . . . . 0.0 110.304 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.516 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.04 -176.84 19.99 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.563 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.894 ' O ' HG21 ' A' ' 115' ' ' THR . 15.3 tp -177.87 120.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.602 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -125.11 47.08 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 111.559 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.67 157.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.211 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.933 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.9 ttt -62.65 124.46 21.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.333 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.43 129.04 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.829 ' HA ' HG12 ' A' ' 100' ' ' VAL . 10.4 t-80 -57.09 144.44 34.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.88 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -124.92 -24.68 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.766 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' N ' ' CE1' ' A' ' 94' ' ' HIS . 3.7 ttpm? 179.73 135.99 0.11 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.72 -89.53 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.038 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -135.21 9.9 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.585 0.231 . . . . 0.0 111.196 179.624 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.565 HD22 HG12 ' A' ' 119' ' ' VAL . 13.0 mt -92.26 123.3 35.49 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 94' ' ' HIS . 30.8 m -109.87 177.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.382 0.611 . . . . 0.0 111.565 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.664 HD22 ' HB2' ' A' ' 117' ' ' CYS . 6.2 mt -124.52 123.44 40.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.197 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.933 HG22 ' HG3' ' A' ' 92' ' ' MET . 13.3 t -107.2 137.48 19.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.043 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -47.52 123.39 8.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.558 2.172 . . . . 0.0 111.661 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' A' ' 116' ' ' ILE . 7.1 tp -121.9 -51.86 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.708 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.522 HG22 ' HE2' ' A' ' 16' ' ' PHE . 2.8 m -152.51 123.69 7.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.089 0.471 . . . . 0.0 111.939 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 91.1 m -116.83 120.7 39.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.727 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 19.4 ttmm -144.37 131.29 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.683 HG22 ' HA ' ' A' ' 113' ' ' ARG . 16.0 t -96.99 134.97 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.0 t -138.38 121.37 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.084 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.91 6.39 85.56 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.81 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 99.41 26.31 8.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.61 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.603 ' C ' HG13 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -139.4 118.7 12.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.683 ' HA ' HG22 ' A' ' 108' ' ' VAL . 66.9 mtm180 -60.73 141.63 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.5 105.49 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.894 HG21 ' O ' ' A' ' 89' ' ' LEU . 92.5 m -107.73 144.21 35.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.118 0.485 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -119.45 134.12 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.033 178.474 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.664 ' HB2' HD22 ' A' ' 101' ' ' LEU . 92.2 m -128.87 139.98 51.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -177.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -73.73 140.96 46.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.684 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.655 HG21 ' CG1' ' A' ' 77' ' ' VAL . 7.3 t -89.71 112.12 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.931 0.396 . . . . 0.0 110.701 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.51 ' O ' HG22 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -134.8 141.98 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.382 -179.113 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.432 ' N ' HD23 ' A' ' 99' ' ' LEU . 0.5 OUTLIER -79.19 125.49 29.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 94.08 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.934 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' HA2' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.44 ' O ' ' HB ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -130.98 -164.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 0.0 111.034 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.586 HG21 ' CG1' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -61.29 -50.87 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.608 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.76 -29.47 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 7' ' ' ALA . 55.5 m -65.16 -38.88 91.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.558 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mt 56.75 29.42 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.562 ' HB3' HG22 ' A' ' 5' ' ' THR . . . -129.32 -63.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.78 179.83 5.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.501 HD13 ' OD1' ' A' ' 13' ' ' ASP . 74.7 mt -131.0 129.32 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.457 HG23 ' HB2' ' A' ' 12' ' ' ASP . 10.1 t -62.39 171.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -59.39 -29.88 68.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.963 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.457 ' HB2' HG23 ' A' ' 10' ' ' THR . 24.9 m-20 -58.6 -31.35 67.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.501 ' OD1' HD13 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -71.21 -52.22 20.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.58 ' HA ' HD23 ' A' ' 17' ' ' LEU . 27.9 m-85 -66.7 -30.02 70.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.713 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -30.28 54.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.185 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.63 -54.06 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.505 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 64' ' ' LEU . 1.3 pp -57.85 -36.38 72.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.774 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.41 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 14.9 p -54.85 -40.26 69.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.125 0.488 . . . . 0.0 109.936 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.13 -26.21 52.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.246 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.89 HG13 HG21 ' A' ' 84' ' ' VAL . 70.2 t -62.42 -47.12 94.51 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.061 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 67' ' ' LYS . 43.2 mt -59.58 -23.91 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.021 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.15 -29.2 61.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.671 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.57 ' SG ' HD11 ' A' ' 116' ' ' ILE . 55.9 m -49.6 162.64 0.15 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.884 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -107.28 16.26 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.502 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' HB3' HG22 ' A' ' 83' ' ' VAL . . . -176.65 145.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 111.309 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.975 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 21.2 t -134.26 122.29 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.834 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 35' ' ' ALA . 7.3 mmt-85 -150.91 -175.84 5.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.515 ' CB ' HD11 ' A' ' 86' ' ' ILE . 19.7 p -113.18 134.63 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.77 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -57.67 -43.88 85.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.677 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.1 mtt -56.58 -28.2 59.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.832 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -158.37 73.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.491 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -76.48 -18.12 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.392 -179.595 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -5.38 43.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.47 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.14 134.25 6.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.761 0.315 . . . . 0.0 111.416 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.447 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . . . -63.46 177.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.61 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -75.35 -68.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.789 0.328 . . . . 0.0 110.268 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER 173.4 171.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.416 178.441 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.73 -64.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.131 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -72.87 -34.5 66.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.913 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.555 ' H ' HG22 ' A' ' 37' ' ' THR . 20.3 mt-30 -57.31 -52.7 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.583 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 37' ' ' THR . 64.0 t -56.03 -37.55 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.1 83.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.121 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -56.95 -56.29 23.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.419 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 47' ' ' ILE . 44.8 t80 -57.39 -33.63 68.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.171 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -65.12 -34.87 79.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.486 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -73.77 -33.1 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 44' ' ' TYR . 57.5 mt -54.95 -60.19 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.832 HD22 HG11 ' A' ' 109' ' ' VAL . 1.6 mt -63.83 -45.53 89.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.427 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 t30 -59.57 -29.91 68.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.744 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -70.14 -28.19 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.331 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -70.89 -33.34 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.408 . . . . 0.0 110.9 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.875 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -62.67 -56.48 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.72 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 2.6 pt20 -55.04 -20.66 9.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.952 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 50' ' ' ALA . 5.1 m -101.76 22.29 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.213 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' CE2' ' A' ' 14' ' ' PHE . 10.4 t70 -105.84 169.84 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -98.59 27.62 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.029 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.4 93.53 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.13 81.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.99 -50.51 22.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -65.52 -38.31 89.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 t -60.77 -57.36 13.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -51.05 -35.65 35.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.239 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -59.88 -44.44 94.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.695 HD12 HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.15 -38.86 75.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 179.771 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.875 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.9 mtt -55.59 -37.42 68.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.134 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.36 -30.94 42.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.6 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.716 ' HB3' HD13 ' A' ' 21' ' ' LEU . 1.5 mtpp -75.82 -37.31 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.71 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 68' ' ' LEU . 4.2 pp -76.78 -16.96 59.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -29.17 57.19 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.599 ' OD2' HG11 ' A' ' 73' ' ' VAL . 11.5 t0 -101.46 16.93 24.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.975 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 54.1 t80 -55.53 137.53 48.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.194 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.39 39.86 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.599 HG11 ' OD2' ' A' ' 70' ' ' ASP . 11.2 p -97.44 152.18 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -69.46 122.65 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.07 139.55 13.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.89 116.82 11.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.884 HG22 ' HB3' ' A' ' 24' ' ' ARG . 22.2 t -89.46 138.02 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.426 ' O ' ' HB ' ' A' ' 119' ' ' VAL . 0.1 OUTLIER -128.87 -163.32 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.518 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.41 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -83.05 149.45 26.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.371 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.91 -31.07 7.61 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.52 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.79 -158.03 0.16 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.77 148.97 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.08 0.466 . . . . 0.0 111.491 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 101' ' ' LEU . 60.7 t -105.51 123.47 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.208 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.89 HG21 HG13 ' A' ' 20' ' ' VAL . 11.9 p -92.7 115.81 32.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.039 0.447 . . . . 0.0 111.135 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.641 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.3 t -93.64 139.01 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.515 HD11 ' CB ' ' A' ' 28' ' ' SER . 2.9 pt -81.82 -5.93 9.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.669 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -114.17 -44.49 3.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.921 0.391 . . . . 0.0 110.154 179.537 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.492 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.98 -174.39 21.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.787 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.708 HD23 ' SG ' ' A' ' 117' ' ' CYS . 10.8 tp -177.99 145.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 110.356 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -146.36 42.73 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.202 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.75 157.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.966 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.0 ttt -59.89 127.69 33.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.569 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.16 125.25 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.821 ' HA ' HG12 ' A' ' 100' ' ' VAL . 5.2 t60 -54.83 147.84 14.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.039 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -126.54 -27.37 3.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.19 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.2 OUTLIER 179.22 144.92 0.15 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.631 0.253 . . . . 0.0 111.098 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.8 t70 46.54 -88.35 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.351 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' LYS . 12.8 m-20 -139.81 13.96 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.761 0.315 . . . . 0.0 111.266 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.654 HD23 ' HA ' ' A' ' 121' ' ' LYS . 53.1 mt -96.36 123.7 40.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.197 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.821 HG12 ' HA ' ' A' ' 94' ' ' HIS . 27.6 m -110.17 176.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.306 0.574 . . . . 0.0 111.864 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 83' ' ' VAL . 14.2 mt -121.77 123.62 42.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.966 HG22 ' HG3' ' A' ' 92' ' ' MET . 14.6 t -105.34 136.22 19.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -47.78 123.44 8.4 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.505 2.137 . . . . 0.0 111.36 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.572 ' HB3' HG22 ' A' ' 116' ' ' ILE . 2.4 tp -120.61 -51.7 2.15 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.9 m -151.2 123.66 8.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.973 0.416 . . . . 0.0 112.018 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 93.9 m -115.86 122.39 45.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.64 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -149.64 132.88 16.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.724 HG22 ' HG2' ' A' ' 113' ' ' ARG . 25.9 t -84.91 125.51 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.832 HG11 HD22 ' A' ' 48' ' ' LEU . 25.1 t -116.78 122.05 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.24 -69.33 1.1 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.595 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -170.66 35.54 0.17 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.405 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -158.09 129.69 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.314 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.724 ' HG2' HG22 ' A' ' 108' ' ' VAL . 1.9 mtp180 -59.55 144.88 46.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 10.4 m -140.54 106.16 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.608 HG21 ' O ' ' A' ' 89' ' ' LEU . 91.5 m -105.31 143.28 33.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 0.0 111.099 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.572 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -116.46 137.86 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.747 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.708 ' SG ' HD23 ' A' ' 89' ' ' LEU . 71.3 m -133.39 139.18 46.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.79 140.38 45.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.774 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.498 HG21 ' CG1' ' A' ' 77' ' ' VAL . 3.9 t -90.69 110.77 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.83 0.348 . . . . 0.0 110.401 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.5 144.01 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 0.0 111.439 -179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.654 ' HA ' HD23 ' A' ' 99' ' ' LEU . 16.5 ttmm -74.75 134.07 41.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.009 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -101.74 157.16 17.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.772 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.897 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.419 ' O ' ' CG2' ' A' ' 3' ' ' THR . 0.2 OUTLIER -151.09 -151.25 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 2' ' ' LEU . 3.0 t 45.4 72.87 0.18 Allowed 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.87 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . 65.41 18.48 11.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.243 -177.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 5' ' ' THR . 61.3 m 49.83 24.29 1.24 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.773 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 35.15 35.32 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.085 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.34 -66.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.56 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.27 160.15 16.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.87 HD21 ' HB1' ' A' ' 4' ' ' ALA . 28.5 mt -127.65 175.26 8.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.17 172.68 6.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -30.46 68.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -34.1 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.586 ' CG ' HD13 ' A' ' 9' ' ' LEU . 5.3 t70 -63.54 -52.04 62.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 55' ' ' ASP . 53.9 m-85 -72.87 -26.92 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -74.05 -36.83 64.41 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.209 0.528 . . . . 0.0 109.711 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' O ' HG13 ' A' ' 20' ' ' VAL . 79.9 t80 -60.05 -36.66 77.8 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.139 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.881 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -65.43 -36.07 82.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.291 179.516 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.0 t -54.87 -35.16 63.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -77.58 -47.81 18.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.142 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 16' ' ' PHE . 2.7 m -58.84 -47.25 89.96 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.358 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 83.9 mt -61.29 -22.2 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.87 -24.69 48.44 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.737 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.0 p -47.02 170.22 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.819 0.342 . . . . 0.0 111.196 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.797 ' HB3' HG22 ' A' ' 77' ' ' VAL . 7.1 mpt_? -104.35 -28.71 11.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.044 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -142.98 140.64 31.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.185 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.864 HG11 ' CE2' ' A' ' 71' ' ' PHE . 22.0 t -111.56 107.26 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.745 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -136.55 178.77 6.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.9 p -118.88 152.79 35.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.745 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.632 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -71.39 -34.39 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.4 mtt -55.91 -28.06 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.978 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -159.15 54.71 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.745 HD23 ' HB3' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -55.92 -22.32 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.502 -179.79 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -70.1 -10.82 60.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.646 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.25 175.14 13.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.96 0.409 . . . . 0.0 111.401 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.72 177.32 6.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.793 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 37' ' ' THR . 4.1 mp -96.01 -66.65 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER 177.49 160.91 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.784 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -53.28 -44.44 68.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.634 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -74.99 -34.55 61.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.659 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 3.8 mm-40 -59.46 -57.79 11.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.996 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.8 m -58.87 -34.0 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.556 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . . . -65.21 -38.6 90.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.497 ' O ' HG13 ' A' ' 47' ' ' ILE . 9.2 tp-100 -57.17 -43.06 82.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 110.067 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.418 ' HD1' HD12 ' A' ' 47' ' ' ILE . 22.8 t80 -75.75 -46.89 28.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.736 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.556 ' HG2' ' HA ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -58.35 -26.8 63.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -76.76 -33.6 58.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.712 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 43' ' ' GLN . 9.7 mt -55.46 -60.86 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.881 ' HB3' HD21 ' A' ' 17' ' ' LEU . 4.7 mt -65.85 -44.16 86.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.443 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.435 ' HB2' HD22 ' A' ' 68' ' ' LEU . 22.9 t-20 -56.97 -36.12 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.528 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 -28.02 64.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.692 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -33.34 75.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.578 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.767 HD22 HD12 ' A' ' 64' ' ' LEU . 3.7 mt -59.5 -53.94 52.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.419 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' H ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -46.48 -40.31 12.2 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.888 0.375 . . . . 0.0 111.269 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 m -93.75 22.38 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.667 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 38.1 t0 -88.19 155.82 19.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.642 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -71.43 -70.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.98 106.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.18 69.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.2 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.49 77.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.071 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -65.99 -36.32 82.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.8 p -56.22 -47.66 78.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -54.76 -38.83 67.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -62.0 -46.68 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.767 HD12 HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.08 -38.59 75.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.759 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.613 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.55 -38.72 75.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.53 -32.89 36.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -72.47 -35.89 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.581 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' ' 49' ' ' ASN . 2.1 tt -76.56 -22.08 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.995 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.54 48.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.252 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.552 ' OD2' HG11 ' A' ' 73' ' ' VAL . 0.8 OUTLIER -108.2 16.84 22.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.864 ' CE2' HG11 ' A' ' 26' ' ' VAL . 9.5 t80 -60.79 144.28 52.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.1 33.49 19.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.552 HG11 ' OD2' ' A' ' 70' ' ' ASP . 13.0 p -92.42 150.68 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 89.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.86 141.13 48.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.795 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.85 114.76 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 24' ' ' ARG . 48.7 t -81.46 151.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.677 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.06 160.26 40.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.269 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.57 148.56 45.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.136 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.78 -30.99 6.85 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -76.75 -158.0 0.1 Allowed 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.419 ' HG2' HD22 ' A' ' 104' ' ' LEU . 3.2 mpt_? -149.55 165.52 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 111.57 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.609 ' CG2' HD21 ' A' ' 101' ' ' LEU . 44.6 t -136.06 129.12 46.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.393 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 84' ' ' VAL . 10.7 p -95.84 116.08 36.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.0 111.53 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.0 t -89.15 110.02 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.469 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.9 mt -50.48 -23.96 2.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.775 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.632 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 28.9 t0 -96.57 -43.84 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.132 0.491 . . . . 0.0 109.86 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.491 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.09 -169.16 23.76 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.318 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.619 ' O ' HG21 ' A' ' 115' ' ' THR . 2.4 mt -177.92 146.34 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.599 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.22 33.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.253 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.37 156.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.048 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.902 ' HG3' HG22 ' A' ' 102' ' ' VAL . 1.7 ttt -52.72 126.1 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.754 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.35 124.7 20.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.829 ' HA ' HG12 ' A' ' 100' ' ' VAL . 29.7 t-80 -57.29 144.81 34.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.974 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -123.15 -29.77 3.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.246 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.53 ' HE3' HD12 ' A' ' 99' ' ' LEU . 23.8 pttt 179.35 149.02 0.26 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.727 0.299 . . . . 0.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.52 -90.03 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' LYS . 2.8 m-20 -140.8 12.5 2.27 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.581 0.229 . . . . 0.0 111.358 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.63 HD23 ' HA ' ' A' ' 121' ' ' LYS . 33.1 mt -95.66 123.81 39.39 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 94' ' ' HIS . 27.8 m -109.88 177.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.23 0.538 . . . . 0.0 111.634 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.644 HD22 ' HB2' ' A' ' 117' ' ' CYS . 15.6 mt -123.36 123.58 41.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.42 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.902 HG22 ' HG3' ' A' ' 92' ' ' MET . 16.4 t -105.32 137.25 19.21 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.49 123.52 8.15 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.69 2.26 . . . . 0.0 111.67 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.576 ' HB3' HG22 ' A' ' 116' ' ' ILE . 4.5 tp -123.74 -51.76 1.81 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.865 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.5 m -151.85 123.69 8.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 112.092 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.601 HG23 ' OG1' ' A' ' 115' ' ' THR . 14.6 m -118.98 118.17 30.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.8 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.424 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 13.9 ttmt -139.63 123.87 17.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.6 t -81.34 105.87 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.4 m -124.44 132.95 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.98 35.29 54.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.4 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 63.78 28.24 72.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.496 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 m -147.99 156.76 43.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 1.7 mtt180 -82.01 142.52 32.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 3.2 t -140.61 96.08 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.619 HG21 ' O ' ' A' ' 89' ' ' LEU . 89.0 m -103.17 144.71 30.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 111.069 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.576 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -121.36 137.92 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.769 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.644 ' HB2' HD22 ' A' ' 101' ' ' LEU . 71.4 m -133.78 141.64 47.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.469 ' HB2' HD13 ' A' ' 104' ' ' LEU . 31.3 t70 -72.45 139.93 47.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.773 178.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.71 113.7 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.857 0.361 . . . . 0.0 110.369 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.28 144.17 37.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.39 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.63 ' HA ' HD23 ' A' ' 99' ' ' LEU . 4.8 ttmt -74.44 147.53 41.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.71 117.96 15.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.869 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' N ' HG22 ' A' ' 10' ' ' THR . . . . . . . . 0 N--CA 1.488 2.11 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.541 HD23 ' OG1' ' A' ' 3' ' ' THR . 0.2 OUTLIER 61.58 -171.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 110.952 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.541 ' OG1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -51.27 -27.0 8.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.77 51.01 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.068 0.461 . . . . 0.0 110.521 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.724 ' CG2' ' HB3' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -179.74 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.822 -179.625 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.7 mt 61.29 137.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.347 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 52.58 37.5 23.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.467 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.724 ' HB3' ' CG2' ' A' ' 5' ' ' THR . . . -176.0 144.81 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -131.28 165.65 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 1' ' ' GLY . 9.3 t -112.72 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -36.81 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.49 -43.42 97.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -52.16 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.756 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -65.1 -26.88 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -75.37 -38.17 60.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.202 0.525 . . . . 0.0 109.681 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.649 ' O ' HG13 ' A' ' 20' ' ' VAL . 27.7 t80 -62.85 -36.73 84.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.005 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.899 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.16 -39.87 94.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.234 179.4 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -54.64 -34.59 62.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -77.55 -47.37 19.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.998 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.676 ' HB ' HG21 ' A' ' 84' ' ' VAL . 2.2 m -61.81 -45.0 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 68' ' ' LEU . 57.7 mt -69.74 -20.22 63.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.734 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.96 -26.3 34.09 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.756 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 1.6 m -45.24 165.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -98.89 -9.45 24.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.863 -179.276 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.12 144.01 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.728 ' CG2' HG23 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -129.29 136.67 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 179.737 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.763 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -160.75 150.27 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.832 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.699 ' HB2' HD11 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -70.79 130.91 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 -179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.834 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -60.22 -34.18 73.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.499 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.4 mtt -59.48 -28.62 67.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.674 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -155.86 61.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.763 HD23 ' CB ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -57.93 -21.62 44.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.269 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 12.53 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.592 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.5 126.71 1.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.819 0.342 . . . . 0.0 111.413 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -85.79 177.47 7.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD12 ' H ' ' A' ' 36' ' ' LEU . 3.1 mp -84.63 -67.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.815 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.421 HG23 ' HB2' ' A' ' 40' ' ' GLN . 1.1 t 171.92 158.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.03 -51.76 9.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.239 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -34.43 76.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.04 -55.77 6.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.028 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.8 t -55.81 -38.78 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' HA ' ' NH1' ' A' ' 45' ' ' ARG . . . -65.4 -38.23 89.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.964 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -57.06 -49.68 75.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.524 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.498 ' HD1' HD12 ' A' ' 47' ' ' ILE . 19.1 t80 -65.13 -34.81 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.321 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' NH1' ' HA ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -65.34 -39.66 92.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.829 179.721 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.81 -33.33 73.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.785 HG21 ' HA3' ' A' ' 110' ' ' GLY . 62.2 mt -59.72 -58.75 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.899 ' HB3' HD21 ' A' ' 17' ' ' LEU . 11.0 mt -65.67 -42.66 91.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.487 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.462 ' HB2' HD22 ' A' ' 68' ' ' LEU . 2.2 t30 -56.62 -31.92 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.837 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -73.9 -27.69 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.057 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -33.35 75.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.849 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -64.09 -56.59 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.809 -179.262 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 1.5 pt20 -55.22 -58.17 8.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 50' ' ' ALA . 3.5 m -49.56 -27.05 2.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.5 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -55.02 169.61 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -105.48 27.36 8.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.184 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.41 85.71 2.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.028 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.08 -30.37 69.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.06 -47.97 40.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -35.33 60.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.185 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.6 p -59.15 -52.43 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.18 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 5.1 ptt-85 -50.98 -33.71 25.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.197 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 62' ' ' ARG . 3.2 mtp180 -62.99 -46.78 86.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.785 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.849 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.29 -35.46 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.745 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.823 ' HG2' HD12 ' A' ' 52' ' ' LEU . 1.8 mtt -56.93 -30.52 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.057 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.56 -35.37 34.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.825 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -71.11 -34.21 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.618 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.491 ' HA ' HD22 ' A' ' 21' ' ' LEU . 8.4 tt -76.92 -22.51 53.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.837 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.24 -26.01 37.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.738 ' CG ' HG12 ' A' ' 73' ' ' VAL . 1.2 t0 -111.58 -34.74 5.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 11.2 t80 39.55 -90.36 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.006 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.708 ' HB2' HG13 ' A' ' 26' ' ' VAL . . . -81.2 71.11 8.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.841 0.353 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.738 HG12 ' CG ' ' A' ' 70' ' ' ASP . 18.1 m -68.94 139.73 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.304 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -81.47 89.88 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -157.35 160.01 38.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.24 139.83 37.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.556 ' CG1' HG21 ' A' ' 119' ' ' VAL . 19.8 t -81.55 160.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.381 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.485 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -142.58 160.67 39.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.446 -179.235 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.469 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -61.43 145.31 52.13 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.183 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.13 7.04 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.423 ' HB3' ' HD3' ' A' ' 24' ' ' ARG . 24.3 m-20 -80.86 -158.14 0.19 Allowed 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 0.7 OUTLIER -154.76 157.65 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.165 0.507 . . . . 0.0 111.47 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.4 t -120.15 118.49 57.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.295 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.713 ' CG1' ' HB ' ' A' ' 26' ' ' VAL . 6.3 p -93.08 113.87 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 111.036 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.834 HG11 ' HB2' ' A' ' 29' ' ' ALA . 10.8 t -93.32 115.62 32.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.29 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.728 HG23 ' CG2' ' A' ' 26' ' ' VAL . 8.8 pt -55.32 -21.26 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.037 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.455 ' H ' HG12 ' A' ' 85' ' ' VAL . 2.7 t0 -97.58 -43.98 6.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 109.872 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.497 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.69 -173.26 21.88 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.088 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.829 ' O ' HG21 ' A' ' 115' ' ' THR . 2.7 mt -177.89 106.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -114.8 43.59 1.93 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.977 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.19 155.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.538 ' HG3' HG22 ' A' ' 102' ' ' VAL . 32.0 ttm -59.67 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.64 124.32 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 86.6 t60 -65.31 152.55 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -121.89 -34.94 3.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.926 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.77 153.58 0.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.647 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.9 t0 44.59 -87.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.122 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 96' ' ' LYS . 9.7 m-20 -141.86 13.19 2.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.466 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 99' ' ' LEU . 24.1 mt -88.33 119.79 29.09 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -114.18 141.25 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.428 -179.396 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 117' ' ' CYS . 22.4 mt -98.84 129.96 45.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.105 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.538 HG22 ' HG3' ' A' ' 92' ' ' MET . 24.5 t -115.71 138.25 23.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 102' ' ' VAL . 5.4 Cg_endo -47.68 123.57 8.45 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.737 2.291 . . . . 0.0 111.973 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.738 HD13 ' HB2' ' A' ' 118' ' ' ASP . 2.1 tp -119.97 -51.74 2.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.792 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.8 m -150.96 123.65 8.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.95 0.405 . . . . 0.0 111.941 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.715 HG23 ' OG1' ' A' ' 115' ' ' THR . 16.9 m -119.57 117.83 29.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.84 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 8.0 mttp -135.89 144.17 45.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.548 HG22 ' HG2' ' A' ' 113' ' ' ARG . 31.8 t -99.36 123.43 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.02 114.71 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.785 ' HA3' HG21 ' A' ' 47' ' ' ILE . . . 77.24 32.3 48.65 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.79 27.76 70.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.7 m -140.88 137.64 33.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.548 ' HG2' HG22 ' A' ' 108' ' ' VAL . 4.0 mtm180 -80.53 126.95 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -118.38 92.37 3.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.834 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.829 HG21 ' O ' ' A' ' 89' ' ' LEU . 90.8 m -96.89 142.98 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 111.056 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.543 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -123.77 137.65 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.435 178.799 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 67.4 m -129.91 141.15 50.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.026 0.441 . . . . 0.0 112.142 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.738 ' HB2' HD13 ' A' ' 104' ' ' LEU . 24.9 t70 -74.78 138.51 42.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.556 HG21 ' CG1' ' A' ' 77' ' ' VAL . 5.4 t -87.97 102.97 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.984 0.421 . . . . 0.0 110.647 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.13 140.3 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.129 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -74.71 119.1 18.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.96 149.26 34.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.316 -0.85 . . . . 0.0 111.447 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.485 ' C ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.535 HD12 ' H ' ' A' ' 3' ' ' THR . 0.1 OUTLIER 30.87 -93.3 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.872 0.469 . . . . 0.0 112.151 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.535 ' H ' HD12 ' A' ' 2' ' ' LEU . 26.7 p -89.17 -46.17 9.01 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.975 0.417 . . . . 0.0 110.514 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.18 -24.3 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.038 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.6 m -104.63 -30.1 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mt 58.01 175.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.76 76.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.09 148.61 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.794 HD13 ' CG ' ' A' ' 13' ' ' ASP . 82.9 mt -116.18 148.36 40.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.994 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.536 HG23 ' H ' ' A' ' 12' ' ' ASP . 11.5 t -81.87 -179.28 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -62.15 -27.32 68.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.536 ' H ' HG23 ' A' ' 10' ' ' THR . 0.3 OUTLIER -58.3 -45.54 87.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.828 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.794 ' CG ' HD13 ' A' ' 9' ' ' LEU . 21.4 t70 -60.29 -44.77 95.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CD1' HD21 ' A' ' 17' ' ' LEU . 2.5 m-85 -72.87 -26.73 61.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -28.66 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 109.999 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.818 ' O ' HG13 ' A' ' 20' ' ' VAL . 18.0 t80 -73.87 -54.29 8.31 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.525 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.843 ' O ' HG22 ' A' ' 20' ' ' VAL . 1.2 pp -63.7 -36.48 84.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.993 0.425 . . . . 0.0 110.229 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.545 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.8 t -64.38 -34.01 77.17 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -77.44 -26.34 51.44 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.82 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 17' ' ' LEU . 3.7 m -73.15 -32.95 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.049 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 67' ' ' LYS . 11.3 mt -66.72 -22.5 66.06 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.19 -33.01 71.2 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.084 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.8 m -45.49 169.69 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.53 -46.19 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.35 140.24 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.955 0.407 . . . . 0.0 111.259 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 21.7 t -120.48 107.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.922 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -138.94 175.75 9.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.08 150.78 28.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.683 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -67.46 -46.86 71.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.728 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.2 mmm -55.52 -26.14 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.726 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 31' ' ' ASN . 8.0 p-10 -155.71 71.95 0.77 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.51 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.922 HD23 ' HB3' ' A' ' 27' ' ' ARG . 1.1 mt -68.79 -18.9 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.47 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -91.42 12.51 20.38 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.1 134.96 0.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 111.447 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.83 177.56 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.774 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.58 HD12 ' H ' ' A' ' 36' ' ' LEU . 4.7 mp -77.15 -67.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.613 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.758 HG21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER 175.71 166.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.733 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.8 m -44.62 -68.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.868 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.758 ' CZ ' HG21 ' A' ' 37' ' ' THR . 41.4 p90 -53.62 -34.43 58.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.602 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.738 ' HB2' HG23 ' A' ' 37' ' ' THR . 0.9 OUTLIER -66.16 -58.63 5.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 111.475 -179.798 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 37' ' ' THR . 42.3 t -55.43 -41.32 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.61 92.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.704 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -53.45 57.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.157 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.464 ' HA ' HD12 ' A' ' 47' ' ' ILE . 7.4 t80 -59.32 -35.38 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.221 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HG3' ' CD2' ' A' ' 71' ' ' PHE . 15.8 mtp180 -63.5 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.88 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.11 -29.05 48.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 44' ' ' TYR . 57.6 mt -58.6 -61.16 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 48' ' ' LEU . 1.9 mt -65.74 -49.83 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.751 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.417 ' HB2' HD13 ' A' ' 68' ' ' LEU . 24.4 t-20 -53.43 -29.99 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -73.84 -27.88 61.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -66.54 -33.04 74.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 179.811 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.885 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -65.95 -56.73 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.018 -178.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -53.32 -55.11 27.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 111.675 -179.193 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.1 m -49.22 -26.52 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.62 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.91 171.2 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -97.18 -32.82 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.99 89.12 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.64 78.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.26 81.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.182 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -75.97 -37.27 58.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.082 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.7 t -62.42 -49.79 74.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.353 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.93 -33.75 25.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.303 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -69.16 -44.25 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.812 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.3 -42.61 71.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.885 ' HG2' HD12 ' A' ' 52' ' ' LEU . 1.6 mtt -54.18 -33.58 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.59 -31.0 47.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.367 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.33 -32.15 66.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.385 179.567 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.417 HD13 ' HB2' ' A' ' 49' ' ' ASN . 7.8 tt -76.84 -23.05 52.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.88 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.17 -23.85 23.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.258 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -105.5 16.79 24.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.223 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.461 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 34.3 t80 -58.21 136.37 57.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.832 0.349 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.02 44.37 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 p -97.51 153.14 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -79.9 118.89 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -161.96 154.55 19.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -83.45 130.23 35.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.456 HG21 ' CZ ' ' A' ' 95' ' ' PHE . 3.2 t -81.64 162.13 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.429 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -151.25 163.12 39.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.392 -179.158 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.88 146.35 53.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.306 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.86 -31.03 6.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.349 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -77.88 -158.16 0.12 Allowed 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.825 ' HG2' HD22 ' A' ' 104' ' ' LEU . 1.7 mpt_? -154.93 151.79 28.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.059 0.457 . . . . 0.0 111.624 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG23 HD21 ' A' ' 101' ' ' LEU . 87.9 t -116.13 123.95 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.241 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 84' ' ' VAL . 6.3 p -92.84 120.91 42.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.946 0.403 . . . . 0.0 111.365 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.631 HG11 ' HB2' ' A' ' 29' ' ' ALA . 5.7 t -101.09 110.73 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.506 HD12 HD11 ' A' ' 36' ' ' LEU . 4.2 mt -45.76 -27.76 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.813 -178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.683 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -94.51 -43.74 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.62 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.05 -172.16 22.46 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.228 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.502 HD23 ' SG ' ' A' ' 117' ' ' CYS . 22.1 tp -177.84 106.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.409 . . . . 0.0 111.098 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.476 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 14.0 m-20 -117.94 53.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.611 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.409 ' HD3' ' O ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -176.61 145.18 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -179.452 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.944 ' HG3' HG22 ' A' ' 102' ' ' VAL . 4.7 ttt -59.16 120.29 8.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.434 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -136.11 128.47 30.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.858 ' HA ' HG12 ' A' ' 100' ' ' VAL . 31.3 t-80 -59.87 147.92 36.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.776 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.456 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 66.1 t80 -123.47 -31.32 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.355 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.26 153.88 0.44 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.745 0.307 . . . . 0.0 111.165 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 46.65 -88.83 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.364 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 96' ' ' LYS . 58.3 m-20 -146.77 20.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.939 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.817 HD23 ' HA ' ' A' ' 121' ' ' LYS . 64.0 mt -104.03 125.69 50.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.279 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.858 HG12 ' HA ' ' A' ' 94' ' ' HIS . 24.8 m -110.26 173.15 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.444 0.64 . . . . 0.0 111.726 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.512 HD21 HG23 ' A' ' 83' ' ' VAL . 12.5 mt -116.64 123.38 47.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.107 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.944 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.6 t -108.84 138.71 20.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.794 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.476 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 4.6 Cg_endo -46.95 123.4 7.32 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.493 2.128 . . . . 0.0 111.634 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.825 HD22 ' HG2' ' A' ' 82' ' ' ARG . 7.9 tp -118.11 -47.18 2.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.492 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 115' ' ' THR . 23.3 m -163.6 129.44 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.032 0.444 . . . . 0.0 111.586 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.686 HG23 ' OG1' ' A' ' 115' ' ' THR . 87.0 m -121.49 115.97 23.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.812 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 11.3 mttm -138.14 145.69 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.6 HG22 ' HA ' ' A' ' 113' ' ' ARG . 20.9 t -111.71 130.37 65.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.6 t -127.89 117.72 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.41 -57.83 4.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 171.41 43.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.558 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.57 ' O ' HG13 ' A' ' 108' ' ' VAL . 21.3 m -153.62 135.55 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.6 ' HA ' HG22 ' A' ' 108' ' ' VAL . 7.8 mtm180 -77.58 109.41 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.989 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 23.1 t -107.42 103.51 12.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.686 ' OG1' HG23 ' A' ' 106' ' ' THR . 75.9 m -113.38 152.64 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 110.888 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.459 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -129.84 142.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.807 178.838 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.502 ' SG ' HD23 ' A' ' 89' ' ' LEU . 86.0 m -129.3 139.41 51.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.187 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.611 ' HB2' HD13 ' A' ' 104' ' ' LEU . 4.3 t0 -71.58 138.45 48.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.153 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.45 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 2.7 t -90.35 110.85 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.19 147.62 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.52 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.817 ' HA ' HD23 ' A' ' 99' ' ' LEU . 6.5 ttmt -74.62 152.41 39.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.024 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -79.78 131.98 36.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.974 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.916 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 2' ' ' LEU . 2.0 pt? -156.78 -46.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.794 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.457 ' N ' ' HG ' ' A' ' 2' ' ' LEU . 29.0 p -119.24 -44.26 2.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.1 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.61 -26.98 64.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.489 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.909 HG23 ' HB3' ' A' ' 8' ' ' ALA . 27.9 m -92.24 -53.84 4.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.318 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mt 62.07 -81.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.326 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . -97.08 77.91 2.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.46 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.909 ' HB3' HG23 ' A' ' 5' ' ' THR . . . 173.73 81.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.608 HD13 ' OD2' ' A' ' 13' ' ' ASP . 2.4 mt -104.53 166.38 10.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.5 p -106.88 -179.05 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.59 -28.54 46.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.01 -45.4 86.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.608 ' OD2' HD13 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -61.95 -45.44 93.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 11.5 m-85 -71.56 -26.96 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.75 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -77.66 -29.4 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.344 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.537 ' HE2' HG22 ' A' ' 105' ' ' THR . 48.3 t80 -73.33 -54.29 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.502 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' A' ' 14' ' ' PHE . 1.8 pp -62.22 -36.23 81.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.368 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -59.16 -45.36 91.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.996 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' ASP . 76.8 m-20 -77.02 -14.37 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.623 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.063 HG13 HG21 ' A' ' 84' ' ' VAL . 4.5 t -73.98 -46.58 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.842 HD22 ' HA ' ' A' ' 68' ' ' LEU . 38.4 mt -57.93 -25.61 61.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.921 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 2.4 m-20 -61.89 -28.31 69.42 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.283 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 13.8 p -50.57 -179.06 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.139 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.786 ' HB2' HG22 ' A' ' 77' ' ' VAL . 1.4 mmt180 -109.38 -45.61 3.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.574 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.17 148.27 37.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 111.582 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.611 ' CG1' ' HB2' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -109.76 132.2 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.524 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.739 ' CZ ' ' HB2' ' A' ' 35' ' ' ALA . 6.2 mmt-85 -156.9 142.05 17.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.808 ' HB2' HD11 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -71.16 133.9 46.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.73 179.731 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.881 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -60.81 -41.69 96.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 110.345 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.3 mtt -54.82 -25.64 29.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.395 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.702 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 18.5 m-80 -147.74 58.53 1.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.228 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -26.15 5.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.529 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -101.64 12.62 36.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.612 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.702 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . . . -148.2 134.73 19.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 111.349 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.739 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -90.77 177.51 6.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.797 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.73 HD11 ' CD1' ' A' ' 86' ' ' ILE . 3.6 mp -95.39 -66.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 178.55 160.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.798 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -44.31 70.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.615 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -34.48 62.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.453 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 1.5 mp0 -59.91 -56.72 18.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.018 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.2 -34.05 52.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.47 84.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -57.12 -56.42 21.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.542 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.543 ' CE2' HG22 ' A' ' 86' ' ' ILE . 2.9 t80 -60.18 -34.95 74.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.493 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.613 ' CG ' HD21 ' A' ' 68' ' ' LEU . 2.9 ttp180 -61.56 -36.42 80.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.797 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -74.13 -28.97 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 44' ' ' TYR . 46.0 mt -56.73 -61.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.829 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.728 HD22 HG11 ' A' ' 109' ' ' VAL . 2.3 mt -64.79 -35.81 82.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.048 0.452 . . . . 0.0 110.01 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.422 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 16.2 t-20 -60.93 -44.18 97.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.493 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -59.07 -28.17 66.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.965 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -69.16 -32.95 72.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.113 0.482 . . . . 0.0 110.406 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 65' ' ' MET . 4.1 mt -64.85 -54.07 36.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.074 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -47.87 -26.37 1.66 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.38 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -100.26 22.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.872 0.367 . . . . 0.0 111.483 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -92.88 171.1 9.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.658 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -48.54 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.55 101.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.35 69.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.57 78.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.16 -36.7 61.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -57.27 -33.34 67.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -39.57 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -43.87 93.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -70.1 -41.36 74.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.592 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -59.33 -38.8 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.957 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.55 -35.84 33.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.388 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.525 ' CB ' HD13 ' A' ' 21' ' ' LEU . 29.7 mtpt -68.35 -30.44 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.28 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.842 ' HA ' HD22 ' A' ' 21' ' ' LEU . 4.5 tt -76.85 -27.08 54.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.563 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.15 -26.41 50.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.709 ' O ' HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -105.53 17.36 23.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.081 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.547 ' CD2' HG11 ' A' ' 26' ' ' VAL . 30.4 t80 -40.63 -70.56 0.1 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.894 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.611 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . . . -99.1 28.75 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 70' ' ' ASP . 14.6 p -58.99 150.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -76.18 89.81 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.659 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -133.95 160.11 38.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.49 139.14 30.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.979 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.786 HG22 ' HB2' ' A' ' 24' ' ' ARG . 16.9 t -103.43 140.36 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -140.03 -161.17 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.69 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.488 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -82.95 149.72 26.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.288 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.56 -31.17 7.77 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.422 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.427 ' OD1' HG21 ' A' ' 119' ' ' VAL . 2.3 p30 -90.49 -163.34 1.01 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -151.37 161.09 43.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.138 0.495 . . . . 0.0 111.781 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.545 HG23 HD21 ' A' ' 101' ' ' LEU . 97.6 t -113.48 125.92 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.411 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.063 HG21 HG13 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -92.65 124.38 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.322 179.639 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.1 t -106.94 125.39 63.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.054 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.808 HD11 ' HB2' ' A' ' 28' ' ' SER . 39.9 pt -69.99 -9.73 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.754 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.54 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -109.27 -44.79 3.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.96 0.409 . . . . 0.0 110.004 179.266 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.71 -171.21 22.77 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.55 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.758 HD23 ' SG ' ' A' ' 117' ' ' CYS . 9.8 tp -177.98 106.64 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.62 45.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.235 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? 176.49 159.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.03 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 145.02 47.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.75 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.17 122.93 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.802 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.417 ' CE1' ' CA ' ' A' ' 96' ' ' LYS . 34.5 t-80 -64.15 152.46 40.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CD2' ' HD3' ' A' ' 96' ' ' LYS . 29.6 t80 -125.7 -33.45 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.568 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.01 153.02 0.38 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.657 0.265 . . . . 0.0 111.192 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 46.16 -88.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.274 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 96' ' ' LYS . 58.5 m-20 -144.46 17.5 1.68 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.644 0.259 . . . . 0.0 111.275 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.608 HD22 HG12 ' A' ' 119' ' ' VAL . 15.2 mt -90.13 119.83 30.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 0.0 110.311 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.28 137.82 42.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.371 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.545 HD21 HG23 ' A' ' 83' ' ' VAL . 19.4 mt -93.93 123.79 37.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.229 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.0 t -109.09 137.27 20.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.76 123.41 8.33 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.575 2.184 . . . . 0.0 111.768 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.588 HD13 ' HB2' ' A' ' 118' ' ' ASP . 5.4 tp -113.73 -50.61 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.304 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.537 HG22 ' HE2' ' A' ' 16' ' ' PHE . 20.5 m -160.9 131.76 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 111.642 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 90.6 m -119.7 120.18 35.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.464 ' CB ' ' CE2' ' A' ' 16' ' ' PHE . 4.5 tttm -142.96 138.83 30.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.029 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.43 HG13 ' C ' ' A' ' 112' ' ' SER . 15.7 t -97.2 140.46 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.728 HG11 HD22 ' A' ' 48' ' ' LEU . 21.6 t -137.15 123.89 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.37 -62.46 2.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 177.95 39.48 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.43 ' C ' HG13 ' A' ' 108' ' ' VAL . 1.4 m -156.95 138.74 14.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.78 145.21 48.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 9.0 m -140.49 110.27 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.078 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.664 HG21 ' O ' ' A' ' 89' ' ' LEU . 87.9 m -115.01 141.09 48.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 111.198 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.815 HG23 HG23 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -117.33 142.44 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.758 ' SG ' HD23 ' A' ' 89' ' ' LEU . 66.2 m -134.01 135.82 43.66 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.588 ' HB2' HD13 ' A' ' 104' ' ' LEU . 17.5 t70 -71.26 141.43 50.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.697 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.608 HG12 HD22 ' A' ' 99' ' ' LEU . 10.7 t -91.18 103.03 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.008 0.432 . . . . 0.0 110.871 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -123.6 139.38 50.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.95 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -74.54 114.96 13.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.009 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 98.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.972 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.634 -0.186 . . . . 0.0 112.634 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 3' ' ' THR . 6.0 tt -101.56 -100.1 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 119.728 -0.177 . . . . 0.0 110.67 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.462 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.9 OUTLIER 39.37 73.4 0.11 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.808 0.337 . . . . 0.0 110.603 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.559 ' HB1' HD12 ' A' ' 9' ' ' LEU . . . 61.87 21.63 12.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.789 -178.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.512 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER 49.99 24.33 1.33 Allowed 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.378 -179.524 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 38.35 -85.67 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 5' ' ' THR . . . -55.91 -15.33 3.24 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.512 ' HB2' ' HB ' ' A' ' 5' ' ' THR . . . -71.49 -47.55 54.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.981 0.42 . . . . 0.0 110.385 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.559 HD12 ' HB1' ' A' ' 4' ' ' ALA . 0.2 OUTLIER -134.47 146.71 50.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.073 179.504 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.8 p -87.4 -179.07 6.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.776 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -54.64 -24.71 22.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -36.13 71.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.252 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.46 -52.85 63.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 110.799 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CE2' ' OD1' ' A' ' 55' ' ' ASP . 4.3 m-85 -73.3 -26.71 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.79 -35.49 70.02 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.581 ' O ' HG13 ' A' ' 20' ' ' VAL . 36.4 t80 -62.33 -38.78 90.79 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.912 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.647 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -62.69 -33.58 75.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.271 179.479 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -35.7 72.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.6 -45.27 25.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.452 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 16' ' ' PHE . 2.7 m -57.6 -44.3 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.08 0 CA-C-O 121.023 0.439 . . . . 0.0 110.745 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.758 HD21 HD12 ' A' ' 68' ' ' LEU . 2.7 mt -70.62 -20.41 62.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.058 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -90.04 -18.9 25.09 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.085 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.558 ' SG ' HD11 ' A' ' 116' ' ' ILE . 1.6 m -43.98 162.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.703 0.287 . . . . 0.0 111.221 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HG2' ' HB3' ' A' ' 81' ' ' ASP . 16.8 mmt180 -99.76 9.08 43.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.813 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.27 140.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 111.523 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.899 HG11 ' CE2' ' A' ' 71' ' ' PHE . 28.6 t -126.71 107.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.6 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.925 ' CZ ' ' HB2' ' A' ' 35' ' ' ALA . 1.2 mmp_? -142.03 -176.51 4.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.147 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.712 ' HB2' HD11 ' A' ' 86' ' ' ILE . 1.2 t -113.24 140.84 47.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.713 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -60.31 -45.75 92.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.809 0.337 . . . . 0.0 110.755 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -31.06 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.623 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -140.11 63.76 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.571 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.826 HD12 ' HB3' ' A' ' 27' ' ' ARG . 8.3 tp -76.94 -18.18 58.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.107 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.99 -26.44 60.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.933 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.15 144.3 24.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.208 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.925 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -69.16 177.41 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.597 HD11 ' CD1' ' A' ' 86' ' ' ILE . 2.7 mp -88.55 -66.85 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.455 HG23 ' HB2' ' A' ' 40' ' ' GLN . 0.1 OUTLIER 176.25 153.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.642 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -46.0 -41.88 12.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.69 -34.24 69.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.698 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HB2' HG23 ' A' ' 37' ' ' THR . 37.3 mm-40 -68.99 -58.31 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.593 HG12 ' HE ' ' A' ' 45' ' ' ARG . 33.0 t -55.82 -36.59 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.2 95.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.27 -44.75 84.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.283 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.516 ' HA ' HD12 ' A' ' 47' ' ' ILE . 39.9 t80 -67.16 -36.09 81.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.084 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.593 ' HE ' HG12 ' A' ' 41' ' ' VAL . 8.5 mtm180 -63.7 -43.07 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.577 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 2.3 t-20 -57.59 -32.86 67.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 44' ' ' TYR . 61.2 mt -61.34 -60.94 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.7 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.647 ' HB3' HD21 ' A' ' 17' ' ' LEU . 3.0 mt -63.39 -50.05 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.686 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 23.4 t-20 -57.16 -29.8 63.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.575 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -69.58 -28.19 65.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.28 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.485 ' O ' HG23 ' A' ' 54' ' ' VAL . 16.9 t -70.52 -33.22 70.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.909 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -66.78 -56.53 10.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.953 -179.1 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.414 ' CD ' ' HA ' ' A' ' 50' ' ' ALA . 3.3 pt20 -53.19 -23.14 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 50' ' ' ALA . 3.7 m -95.47 22.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.742 0.306 . . . . 0.0 111.361 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' OD1' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -104.31 137.78 41.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.804 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -59.32 -39.93 84.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.32 89.35 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.69 84.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 -46.73 89.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.182 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -54.52 41.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -56.29 -36.89 69.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -36.72 67.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.684 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.695 ' HG2' HD23 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -68.96 -37.15 78.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.7 0.286 . . . . 0.0 111.163 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.909 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -70.07 -43.41 71.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.029 0.442 . . . . 0.0 110.442 179.578 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.887 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.2 mtt -55.45 -31.65 62.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.094 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.36 -33.79 42.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.245 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -70.99 -30.76 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.108 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.758 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -75.41 -25.15 57.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.554 179.419 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.1 -22.88 30.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.37 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.564 ' O ' HG23 ' A' ' 73' ' ' VAL . 21.0 t70 -107.24 17.08 23.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.499 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.899 ' CE2' HG11 ' A' ' 26' ' ' VAL . 3.8 t80 -67.43 138.66 56.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 111.082 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.585 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 59.86 42.19 16.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.6 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 70' ' ' ASP . 57.3 t -107.12 154.8 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.91 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' N ' HG12 ' A' ' 73' ' ' VAL . 4.2 mt-10 -70.6 89.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.31 139.54 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.661 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.27 138.76 54.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 78' ' ' THR . 42.8 t -98.74 158.62 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.553 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.488 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -151.51 158.33 43.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.281 -179.221 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.19 146.47 50.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.076 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.92 -31.05 7.25 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.431 ' HB3' ' HG2' ' A' ' 24' ' ' ARG . 5.4 m-20 -76.02 -158.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -156.62 156.24 33.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.156 0.503 . . . . 0.0 111.928 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.577 HG23 HD21 ' A' ' 101' ' ' LEU . 93.0 t -118.34 127.13 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.435 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 84' ' ' VAL . 14.6 p -94.12 114.28 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.886 0.374 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 29' ' ' ALA . 4.1 t -94.13 114.85 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.989 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.712 HD11 ' HB2' ' A' ' 28' ' ' SER . 35.2 pt -55.27 -24.22 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.844 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.61 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 2.7 t70 -93.59 -44.32 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.553 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.36 -168.36 23.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.923 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.825 HD23 ' SG ' ' A' ' 117' ' ' CYS . 9.4 tp -178.12 154.9 0.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.664 0.269 . . . . 0.0 110.342 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -159.82 38.13 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.661 0.267 . . . . 0.0 111.493 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.0 155.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 111.128 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.922 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -57.52 115.29 2.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.619 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.15 123.64 40.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.002 0.429 . . . . 0.0 111.647 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.81 ' HA ' HG12 ' A' ' 100' ' ' VAL . 12.4 t-80 -58.42 145.49 38.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -124.44 -26.43 3.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.593 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' ASP . 14.1 pttt 179.68 136.85 0.11 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.669 0.271 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.11 -88.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' LYS . 42.8 m-20 -132.64 -10.34 3.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 99' ' ' LEU . 13.3 mt -74.64 119.55 18.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' ' 94' ' ' HIS . 30.9 m -110.99 -178.63 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 111.571 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.577 HD21 HG23 ' A' ' 83' ' ' VAL . 18.6 mt -123.44 123.44 40.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.132 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.922 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.3 t -105.01 136.78 19.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.32 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.402 ' HD2' HG13 ' A' ' 102' ' ' VAL . 6.3 Cg_endo -48.38 123.66 9.47 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.563 2.175 . . . . 0.0 111.523 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 116' ' ' ILE . 12.2 tp -122.09 -52.01 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 115' ' ' THR . 25.3 m -156.2 126.93 6.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.963 0.411 . . . . 0.0 112.096 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 94.6 m -118.41 118.65 32.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.698 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.429 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 22.0 mttm -131.6 128.03 38.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.531 HG22 ' HG2' ' A' ' 113' ' ' ARG . 21.5 t -102.87 139.89 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.66 126.1 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.43 -80.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.378 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -155.8 28.51 0.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.71 141.27 24.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.583 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 13.4 mtm180 -85.28 160.48 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.2 t -140.77 90.35 2.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.653 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.553 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 89.9 m -96.57 142.83 28.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.082 0.467 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.609 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -124.94 135.26 64.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.17 179.078 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.825 ' SG ' HD23 ' A' ' 89' ' ' LEU . 74.1 m -132.57 135.44 45.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -70.3 142.0 52.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.815 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.408 HG22 HD21 ' A' ' 101' ' ' LEU . 2.7 t -91.02 116.6 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.724 0.297 . . . . 0.0 110.354 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.16 150.36 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.417 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.28 138.46 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.032 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.63 138.79 54.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.889 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.482 ' HA3' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.708 HD13 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -122.91 -171.83 2.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.62 0.248 . . . . 0.0 111.127 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -60.23 1.5 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.632 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.72 -25.47 7.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.506 ' HA ' HD21 ' A' ' 9' ' ' LEU . 66.2 m -87.24 -32.02 19.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mp 62.48 -79.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -176.36 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.401 . . . . 0.0 111.028 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.59 85.37 1.71 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.957 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.506 HD21 ' HA ' ' A' ' 5' ' ' THR . 17.8 mt -58.13 139.14 55.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.016 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.0 p -74.3 179.06 4.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -63.82 -25.33 68.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -43.0 85.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -59.1 -50.16 75.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.818 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.419 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 20.1 m-85 -72.79 -27.63 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.866 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.26 -30.02 57.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.125 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.695 ' O ' HG23 ' A' ' 20' ' ' VAL . 44.7 t80 -70.55 -54.05 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.268 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 14' ' ' PHE . 1.9 pp -67.46 -36.53 81.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.639 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -59.77 -39.98 86.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.102 0.477 . . . . 0.0 109.955 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -22.8 51.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.316 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.837 HG13 HG21 ' A' ' 84' ' ' VAL . 38.8 t -66.51 -47.51 83.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.84 0.352 . . . . 0.0 110.106 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.531 HD22 ' C ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -62.47 -19.62 63.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.162 178.825 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -79.34 -23.56 43.33 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.202 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.577 ' HG ' HD11 ' A' ' 116' ' ' ILE . 1.3 m -45.75 160.36 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.494 ' HB3' HG22 ' A' ' 77' ' ' VAL . 8.4 mpt_? -89.88 2.89 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.862 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -179.1 141.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.853 0.359 . . . . 0.0 111.527 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.4 t -118.63 107.47 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.684 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.657 ' NH1' ' HB2' ' A' ' 35' ' ' ALA . 8.8 mmt-85 -141.23 -175.73 4.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.049 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.704 ' HB2' HD11 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -112.08 145.21 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.568 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.839 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -68.24 -39.31 82.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.963 0.411 . . . . 0.0 110.336 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -28.3 69.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.491 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -156.64 72.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.38 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -76.59 -18.1 58.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.493 -179.493 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.32 12.48 16.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.6 140.44 4.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 111.443 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.657 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . . . -85.45 177.52 7.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.552 HD22 ' OE1' ' A' ' 40' ' ' GLN . 3.6 mp -97.4 -67.19 0.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.072 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.427 HG23 ' HB2' ' A' ' 40' ' ' GLN . 0.6 OUTLIER 173.11 160.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.375 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -47.44 -51.33 20.51 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.282 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.42 -34.51 78.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.552 ' OE1' HD22 ' A' ' 36' ' ' LEU . 7.0 mm-40 -67.61 -58.33 4.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.29 -35.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.82 92.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.72 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -57.16 -48.88 77.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.653 ' HA ' HD12 ' A' ' 47' ' ' ILE . 8.3 t80 -62.7 -33.57 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.169 179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.605 ' HB3' HD21 ' A' ' 68' ' ' LEU . 31.6 mtm180 -66.04 -45.74 80.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.736 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -57.6 -35.19 70.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 44' ' ' TYR . 67.3 mt -58.1 -60.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.632 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 48' ' ' LEU . 5.5 mt -66.3 -38.49 87.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.328 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 2.9 t30 -58.93 -50.21 74.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.155 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -54.09 -27.6 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.764 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -32.5 68.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.053 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.847 ' HB2' ' HE3' ' A' ' 65' ' ' MET . 0.3 OUTLIER -75.02 -23.48 58.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.196 0.522 . . . . 0.0 110.835 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -44.46 -62.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.261 -179.578 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.34 -23.04 24.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.946 -177.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -47.44 107.34 0.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.163 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -66.33 -50.25 64.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.986 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 99.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.56 72.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.63 89.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -42.02 48.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.0 p -58.64 -56.26 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.328 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -52.34 -33.84 44.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.272 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -62.77 -52.71 62.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -70.2 -45.51 66.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.449 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.847 ' HE3' ' HB2' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -54.22 -30.49 50.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.97 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.42 -34.98 35.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.024 0.44 . . . . 0.0 110.311 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.531 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -67.04 -30.87 71.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.215 179.313 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' A' ' 45' ' ' ARG . 4.8 tt -76.86 -28.31 55.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.648 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.29 64.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.732 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.5 t0 -108.73 17.06 22.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.883 ' CE2' HG11 ' A' ' 26' ' ' VAL . 23.7 t80 -54.28 148.58 11.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 111.281 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.84 56.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.428 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -107.19 155.69 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 179.704 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.79 93.79 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -121.58 139.65 53.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.76 121.16 20.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.791 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.51 ' CG1' HG21 ' A' ' 119' ' ' VAL . 21.7 t -81.43 154.01 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.13 164.99 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.342 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -63.88 146.97 53.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.079 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.91 -31.15 6.79 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.407 ' HB3' ' HD3' ' A' ' 24' ' ' ARG . 10.7 m-20 -83.98 -157.88 0.29 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.92 157.74 35.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.121 0.486 . . . . 0.0 111.77 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.478 ' CG2' HD21 ' A' ' 101' ' ' LEU . 61.9 t -121.0 125.41 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.425 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.837 HG21 HG13 ' A' ' 20' ' ' VAL . 12.9 p -92.58 114.19 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.05 0.452 . . . . 0.0 111.209 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.839 HG11 ' HB2' ' A' ' 29' ' ' ALA . 5.6 t -93.5 115.89 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.016 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.704 HD11 ' HB2' ' A' ' 28' ' ' SER . 45.6 pt -58.96 -18.7 13.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.895 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 18.4 t0 -97.61 -44.11 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.174 0.511 . . . . 0.0 109.632 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.538 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.69 -176.1 20.37 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.398 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.849 ' O ' HG21 ' A' ' 115' ' ' THR . 2.9 mt -177.97 107.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.755 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 1.6 m-20 -116.65 43.43 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.376 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 154.02 1.01 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.93 0.395 . . . . 0.0 111.463 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.788 ' SD ' HG21 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -59.28 123.05 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.403 179.4 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -136.9 125.78 24.16 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.849 ' HA ' HG12 ' A' ' 100' ' ' VAL . 46.9 t-80 -59.84 152.33 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.29 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -129.26 -30.78 2.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.533 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.88 155.71 0.45 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.755 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 44.0 -87.52 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.54 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -147.21 22.57 1.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 179.411 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.522 HD23 ' CA ' ' A' ' 121' ' ' LYS . 39.5 mt -107.53 129.99 54.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.421 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.849 HG12 ' HA ' ' A' ' 94' ' ' HIS . 27.7 m -114.34 177.95 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.373 0.606 . . . . 0.0 111.861 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.478 HD21 ' CG2' ' A' ' 83' ' ' VAL . 18.4 mt -121.88 123.44 41.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.839 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.448 HG13 ' HD2' ' A' ' 103' ' ' PRO . 30.0 t -109.87 138.49 20.73 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.034 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.448 ' HD2' HG13 ' A' ' 102' ' ' VAL . 5.8 Cg_endo -47.87 123.45 8.51 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.697 2.265 . . . . 0.0 112.009 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.663 HD13 ' OD2' ' A' ' 118' ' ' ASP . 11.0 tp -121.01 -51.61 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 115' ' ' THR . 1.7 m -151.41 123.44 8.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.999 0.428 . . . . 0.0 111.775 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 95.1 m -119.18 105.52 11.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.689 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.442 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 4.9 ttmt -126.18 138.46 53.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.018 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 112' ' ' SER . 28.4 t -102.15 124.18 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.445 HG12 HG22 ' A' ' 47' ' ' ILE . 22.5 t -119.05 124.67 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.36 -65.82 0.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.556 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -176.83 40.28 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.644 ' O ' HG13 ' A' ' 108' ' ' VAL . 2.2 m -144.66 150.06 36.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -92.62 110.03 21.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.81 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 21.7 m -110.46 108.57 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.397 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.849 HG21 ' O ' ' A' ' 89' ' ' LEU . 98.4 m -110.59 144.43 39.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.577 HD11 ' HG ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -121.07 134.6 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.698 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.403 ' HB2' HD22 ' A' ' 101' ' ' LEU . 94.8 m -129.23 141.55 51.1 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -177.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.663 ' OD2' HD13 ' A' ' 104' ' ' LEU . 1.9 p30 -78.93 132.78 36.86 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.408 178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.51 HG21 ' CG1' ' A' ' 77' ' ' VAL . 3.3 t -81.43 113.68 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.61 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.46 145.35 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.416 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.522 ' CA ' HD23 ' A' ' 99' ' ' LEU . 2.0 ttmt -74.6 144.25 44.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -98.31 116.57 30.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.79 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.923 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.845 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.845 HD13 ' C ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -127.06 -80.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.628 0.252 . . . . 0.0 110.51 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.3 p -88.13 -33.57 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.988 0.423 . . . . 0.0 110.244 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.85 -25.35 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.905 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.759 ' HA ' HD21 ' A' ' 9' ' ' LEU . 80.9 m -109.81 -31.21 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 62.25 18.89 10.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.559 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 62.35 15.56 7.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.47 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . 168.11 98.82 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.787 0.327 . . . . 0.0 110.963 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.759 HD21 ' HA ' ' A' ' 5' ' ' THR . 21.0 mt -85.33 139.5 31.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.9 t -68.48 165.61 18.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -56.31 -29.88 61.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.05 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -39.49 87.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.6 -51.24 69.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 68.9 m-85 -70.96 -26.8 63.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -72.86 -37.37 67.4 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.686 ' O ' HG13 ' A' ' 20' ' ' VAL . 74.8 t80 -60.84 -36.58 79.5 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.822 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.866 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -66.0 -36.28 82.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.728 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -37.86 66.37 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.64 -48.12 17.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.372 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 17' ' ' LEU . 3.0 m -61.64 -33.57 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 CA-C-O 121.056 0.455 . . . . 0.0 110.525 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.679 HD13 ' HB3' ' A' ' 67' ' ' LYS . 52.4 mt -74.96 -25.0 58.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.516 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.4 -27.37 41.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.436 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.585 ' SG ' HD11 ' A' ' 116' ' ' ILE . 1.3 m -47.28 158.85 0.14 Allowed 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -35.52 8.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.021 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.575 ' HB3' HG13 ' A' ' 83' ' ' VAL . . . -116.36 140.35 49.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.867 HG11 ' CE2' ' A' ' 71' ' ' PHE . 12.2 t -138.67 107.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.21 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.723 ' CB ' HD23 ' A' ' 32' ' ' LEU . 1.1 mmm180 -161.18 143.68 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 111.379 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.402 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -69.67 138.99 53.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.71 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -52.49 -24.85 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.4 mtt -51.6 -25.78 7.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.265 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.17 68.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.952 0.406 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.723 HD23 ' CB ' ' A' ' 27' ' ' ARG . 3.6 mt -62.71 -17.76 61.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.583 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.46 12.54 5.43 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.95 153.2 10.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 111.717 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . . . -89.58 176.86 6.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.836 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.63 HD11 HH11 ' A' ' 27' ' ' ARG . 1.8 mp -99.88 -67.59 0.85 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.834 0.349 . . . . 0.0 110.827 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER 170.86 153.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.705 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -44.69 -39.66 5.29 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.379 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -73.08 -34.31 66.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.798 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.505 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 1.3 mp0 -70.72 -54.27 12.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.183 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.18 -38.33 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.27 -37.02 85.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -57.05 -56.19 24.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.442 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.419 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 2.3 t80 -61.05 -35.15 76.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.045 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -68.13 -35.46 78.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.723 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.79 -36.91 84.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.577 HG22 HG12 ' A' ' 109' ' ' VAL . 66.7 mt -58.3 -57.39 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.866 ' HB3' HD21 ' A' ' 17' ' ' LEU . 4.1 mt -63.74 -46.08 87.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.717 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.812 ' HB2' HD13 ' A' ' 68' ' ' LEU . 1.2 t30 -57.58 -32.49 67.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.56 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -68.83 -28.0 66.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.361 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -70.09 -33.32 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.992 0.425 . . . . 0.0 110.999 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.925 HD11 HD21 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -63.58 -56.38 16.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.734 -179.245 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 2.4 pt20 -54.79 -20.63 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.78 -179.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.7 m -101.68 22.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 0.0 111.255 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 26.3 t0 -95.98 162.2 13.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.907 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -81.28 -31.38 33.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.05 97.58 10.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.73 86.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.22 -32.49 72.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.5 t -57.8 -49.73 75.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -53.33 -33.92 55.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.273 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -68.79 -41.94 78.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.049 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.863 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.22 -44.82 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.911 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.4 mtt -53.79 -32.76 53.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.53 -30.64 57.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.012 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.679 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -67.52 -37.99 83.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.981 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.925 HD21 HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -75.23 -22.78 57.65 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.836 179.765 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.52 26.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.67 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -113.96 16.84 18.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.984 179.662 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.867 ' CE2' HG11 ' A' ' 26' ' ' VAL . 23.3 t80 -60.81 140.85 57.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.24 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 53.72 64.16 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.381 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' ' 70' ' ' ASP . 3.9 m -107.19 155.75 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.09 95.8 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.794 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -151.43 156.47 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -90.06 132.2 35.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.555 HG23 ' CZ ' ' A' ' 95' ' ' PHE . 16.5 t -81.56 160.06 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.48 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -143.06 163.62 32.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.55 -179.207 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.529 ' HB2' HD21 ' A' ' 99' ' ' LEU . . . -61.74 146.16 50.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.143 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.45 -31.12 7.02 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.92 -158.1 0.22 Allowed 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.99 164.19 37.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 0.0 111.383 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.575 HG13 ' HB3' ' A' ' 25' ' ' ALA . 96.4 t -134.27 122.76 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.51 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.704 HG13 HG13 ' A' ' 26' ' ' VAL . 8.4 p -96.02 114.14 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 111.376 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 27' ' ' ARG . 42.5 t -91.22 115.52 30.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.047 0.451 . . . . 0.0 110.383 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.402 HG13 ' H ' ' A' ' 86' ' ' ILE . 8.8 mt -50.2 -18.38 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.52 ' H ' HG12 ' A' ' 85' ' ' VAL . 2.0 t70 -103.84 -42.76 5.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.258 0.552 . . . . 0.0 109.522 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.539 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.01 -173.51 21.85 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.656 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -178.04 106.64 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.976 0.417 . . . . 0.0 111.256 179.43 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.454 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 91.0 m-20 -113.46 45.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.33 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -169.49 149.43 3.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.315 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.908 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -63.56 114.19 3.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.413 179.472 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -122.64 126.73 48.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.783 ' HA ' HG12 ' A' ' 100' ' ' VAL . 8.6 t-80 -61.95 145.86 51.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.964 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 77' ' ' VAL . 75.2 t80 -123.25 -26.64 4.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.466 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.448 ' N ' ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -179.37 142.62 0.18 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.649 0.261 . . . . 0.0 110.939 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 47.94 -90.67 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.5 m-20 -136.08 6.37 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.569 0.223 . . . . 0.0 111.167 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 121' ' ' LYS . 11.5 mt -86.0 119.71 26.6 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.783 HG12 ' HA ' ' A' ' 94' ' ' HIS . 33.7 m -111.88 174.44 2.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.341 0.591 . . . . 0.0 111.822 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 83' ' ' VAL . 17.3 mt -116.55 123.33 47.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.015 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.9 t -106.77 136.39 19.43 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.169 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.454 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 5.2 Cg_endo -47.69 123.65 8.57 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.609 2.206 . . . . 0.0 111.632 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.491 ' HB3' HG23 ' A' ' 116' ' ' ILE . 11.0 tp -121.46 -51.72 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.847 -178.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.542 ' O ' ' HA ' ' A' ' 115' ' ' THR . 4.5 m -151.69 123.7 8.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.931 0.396 . . . . 0.0 111.915 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.699 HG23 ' OG1' ' A' ' 115' ' ' THR . 49.5 m -114.74 111.92 22.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.828 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -134.71 149.67 50.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.669 HG22 ' HG2' ' A' ' 113' ' ' ARG . 16.4 t -111.9 134.3 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.577 HG12 HG22 ' A' ' 47' ' ' ILE . 19.2 t -134.27 122.89 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.77 -62.57 2.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 176.18 47.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.58 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -163.84 130.15 3.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.669 ' HG2' HG22 ' A' ' 108' ' ' VAL . 2.1 mtt180 -72.76 116.11 12.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 6.7 m -114.86 95.93 5.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.366 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.699 ' OG1' HG23 ' A' ' 106' ' ' THR . 85.0 m -96.96 152.05 19.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.881 0.372 . . . . 0.0 110.697 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.585 HD11 ' SG ' ' A' ' 23' ' ' CYS . 3.1 tt -122.88 141.68 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.875 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.503 ' HB2' HD22 ' A' ' 101' ' ' LEU . 80.7 m -133.09 139.11 46.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.26 136.23 42.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.809 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.536 HG21 ' CG1' ' A' ' 77' ' ' VAL . 2.5 t -86.3 113.49 24.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.72 0.295 . . . . 0.0 110.283 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.428 ' C ' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -130.71 145.41 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.993 0.425 . . . . 0.0 111.564 -178.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.531 ' N ' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -74.57 152.31 39.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.13 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.57 145.45 25.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.962 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.71 ' HA3' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.701 ' HA ' HD11 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -122.01 -165.04 1.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.687 0.279 . . . . 0.0 111.04 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -52.86 52.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.68 -29.44 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.71 HG21 ' HA3' ' A' ' 1' ' ' GLY . 99.1 m -74.43 -28.84 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.784 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt 61.01 155.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.81 29.11 18.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.95 -41.75 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.701 HD11 ' HA ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -131.73 147.45 52.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.4 p -88.4 -179.03 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.998 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.69 -24.88 9.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -31.23 66.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.746 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.408 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 7.5 t70 -64.77 -40.09 94.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.661 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.807 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.5 m-85 -70.68 -30.06 66.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.394 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -73.31 -30.66 63.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.727 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CE2' ' HB2' ' A' ' 107' ' ' LYS . 1.3 t80 -63.21 -48.4 78.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.202 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.807 HD23 ' HA ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -62.8 -33.65 75.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.454 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.471 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 13.4 m -57.4 -33.92 68.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.46 -25.8 57.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.293 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.878 HG13 HG21 ' A' ' 84' ' ' VAL . 67.5 t -68.33 -48.73 71.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.96 0.409 . . . . 0.0 110.214 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.865 HD13 ' HB2' ' A' ' 67' ' ' LYS . 3.8 mt -60.86 -25.98 67.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.625 178.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.408 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 2.0 t0 -71.45 -28.49 64.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.165 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' A' ' 116' ' ' ILE . 74.2 m -51.25 171.56 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.766 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.734 ' HB2' ' HB ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -111.96 -39.55 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.425 -179.522 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.16 140.17 49.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.988 0.423 . . . . 0.0 111.283 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.67 107.32 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.724 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.892 ' HB3' HD23 ' A' ' 32' ' ' LEU . 10.0 mmt-85 -136.93 172.49 12.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.84 144.05 38.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -59.58 -39.13 83.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.717 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.9 ptp -58.46 -26.6 63.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.718 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -157.63 67.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.892 HD23 ' HB3' ' A' ' 27' ' ' ARG . 4.9 mt -60.98 -24.77 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -95.12 12.52 28.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.592 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.53 118.76 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 111.491 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.29 177.57 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 5.0 mp -85.63 -67.04 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 111.006 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.25 154.98 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.684 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -42.26 51.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.719 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.05 -34.52 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.668 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -62.58 -56.84 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.402 HG11 ' CB ' ' A' ' 72' ' ' ALA . 59.6 t -55.92 -31.23 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.765 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.31 94.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.627 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.06 -53.89 52.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.276 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.513 ' CE2' HG23 ' A' ' 86' ' ' ILE . 21.9 t80 -58.35 -33.79 69.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.163 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.418 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.94 -35.18 77.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.382 179.461 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -76.48 -30.22 57.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 44' ' ' TYR . 61.3 mt -56.06 -61.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.051 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.66 HD23 ' N ' ' A' ' 48' ' ' LEU . 1.8 mt -68.54 -41.21 80.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.981 0.42 . . . . 0.0 110.415 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -58.29 -40.36 81.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.604 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -67.2 -27.45 67.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.093 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -33.29 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.036 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.762 HD22 HD12 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -64.05 -56.48 14.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.99 -179.018 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -49.18 -25.18 2.06 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.205 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -104.34 22.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 111.42 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -85.73 154.25 21.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.587 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -68.75 -56.77 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.16 99.64 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.82 -26.04 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.31 -38.56 71.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.231 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -75.72 -36.87 59.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -55.54 -36.75 67.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -58.58 -36.78 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.174 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -48.9 31.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.197 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.762 HD12 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -70.15 -36.77 74.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.814 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.61 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.18 -36.74 71.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 -179.653 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.92 -40.57 39.29 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.865 ' HB2' HD13 ' A' ' 21' ' ' LEU . 5.1 mmmt -63.31 -27.41 69.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.725 178.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.73 ' CD2' HD21 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -73.32 -30.43 63.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.942 179.074 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.62 -20.43 55.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.515 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.756 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -115.03 16.9 17.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.59 -179.522 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.411 ' HB3' ' CG ' ' A' ' 45' ' ' ARG . 26.4 t80 -57.27 137.32 56.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.306 . . . . 0.0 111.074 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 58.1 68.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.756 HG13 ' O ' ' A' ' 70' ' ' ASP . 2.3 m -106.99 155.78 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -82.82 96.77 8.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -155.56 139.62 16.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.15 147.24 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.076 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.734 ' HB ' ' HB2' ' A' ' 24' ' ' ARG . 1.9 p -131.04 123.81 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -111.72 -158.41 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.695 -179.762 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.558 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -67.7 149.66 49.71 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.07 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.12 -31.5 7.3 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.245 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.564 ' HB2' HG23 ' A' ' 77' ' ' VAL . 58.6 m-20 -91.46 -169.68 2.38 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.407 ' HD3' ' CD2' ' A' ' 104' ' ' LEU . 36.1 mtm180 -140.01 156.68 46.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.073 0.463 . . . . 0.0 111.722 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.525 ' CG2' HD21 ' A' ' 101' ' ' LEU . 60.4 t -122.39 119.5 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.353 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.878 HG21 HG13 ' A' ' 20' ' ' VAL . 7.4 p -92.98 119.64 41.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 111.35 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 89' ' ' LEU . 4.0 t -93.88 116.04 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.513 HG23 ' CE2' ' A' ' 44' ' ' TYR . 6.9 mt -56.52 -19.96 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.921 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.655 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 7.1 t0 -100.85 -43.43 6.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.429 . . . . 0.0 109.847 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.501 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.59 -173.29 22.13 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.4 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.829 ' O ' HG21 ' A' ' 115' ' ' THR . 3.7 mt -177.88 122.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.15 41.78 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.02 158.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.872 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -60.36 131.87 52.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.582 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -146.07 129.01 16.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.966 0.412 . . . . 0.0 112.025 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.797 ' HA ' HG12 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -62.72 138.1 58.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.378 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.533 ' CE2' HG13 ' A' ' 77' ' ' VAL . 70.5 t80 -127.43 -2.6 6.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.245 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HD3' ' CD2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -155.33 -167.61 2.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.643 0.258 . . . . 0.0 110.633 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -43.6 12.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.858 0.361 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -146.08 -15.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.921 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 121' ' ' LYS . 90.8 mt -74.59 129.21 37.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.669 0.271 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.797 HG12 ' HA ' ' A' ' 94' ' ' HIS . 17.1 m -111.0 -176.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.213 0.53 . . . . 0.0 111.592 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.525 HD21 ' CG2' ' A' ' 83' ' ' VAL . 93.2 mt -127.88 123.56 35.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.223 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.872 HG22 ' HG3' ' A' ' 92' ' ' MET . 22.6 t -106.46 132.87 20.54 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.005 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.86 123.59 8.71 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.446 2.097 . . . . 0.0 111.676 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.592 ' HB3' HG22 ' A' ' 116' ' ' ILE . 11.0 tp -121.72 -51.77 2.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.663 -179.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.492 ' O ' ' HA ' ' A' ' 115' ' ' THR . 2.9 m -148.54 123.44 9.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.837 0.351 . . . . 0.0 111.603 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.499 HG21 ' NH1' ' A' ' 113' ' ' ARG . 92.8 m -118.6 120.97 39.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.991 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.438 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 17.3 mttm -156.1 122.15 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.849 HG23 ' C ' ' A' ' 112' ' ' SER . 2.3 p -81.8 135.81 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.734 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.515 HG11 HD22 ' A' ' 48' ' ' LEU . 12.4 t -126.98 114.69 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.912 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.504 ' H ' HD13 ' A' ' 2' ' ' LEU . . . 86.96 -10.2 69.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.669 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.57 0.01 6.27 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.071 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.849 ' C ' HG23 ' A' ' 108' ' ' VAL . 19.1 m -125.85 130.71 51.9 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.099 0.476 . . . . 0.0 111.437 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.499 ' NH1' HG21 ' A' ' 106' ' ' THR . 0.8 OUTLIER -57.76 146.79 30.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.494 -179.771 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 6.0 t -140.77 93.62 2.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.445 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.829 HG21 ' O ' ' A' ' 89' ' ' LEU . 92.4 m -96.94 141.11 30.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.192 0.52 . . . . 0.0 111.462 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.592 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -118.19 134.37 62.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.035 178.431 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 63.5 m -130.78 139.63 50.24 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.46 133.95 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.764 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.52 HG21 HG22 ' A' ' 77' ' ' VAL . 11.2 t -81.62 115.41 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.833 0.349 . . . . 0.0 110.625 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.53 148.25 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.235 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.613 ' HA ' HD23 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -74.48 147.26 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.692 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -118.94 127.07 53.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.92 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.545 HD23 ' N ' ' A' ' 3' ' ' THR . 1.1 tt -59.87 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 119.793 -0.146 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.545 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.9 t 41.23 67.97 0.48 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 110.228 -179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.41 23.26 12.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 5' ' ' THR . 89.3 m 45.57 38.54 4.02 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.75 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.66 -54.57 4.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.16 77.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.59 166.63 12.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.474 HD13 ' CG ' ' A' ' 13' ' ' ASP . 54.5 mt -128.07 128.92 45.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.582 HG23 HG21 ' A' ' 5' ' ' THR . 40.0 p -71.52 173.57 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.37 -24.89 61.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -57.71 -36.92 72.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.089 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.474 ' CG ' HD13 ' A' ' 9' ' ' LEU . 13.1 t70 -60.41 -52.18 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.748 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 51.4 m-85 -70.87 -26.52 63.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.768 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -32.62 70.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 68.1 t80 -64.98 -39.56 93.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.903 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -61.11 -39.66 90.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.481 179.621 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -36.77 65.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.143 0.497 . . . . 0.0 109.892 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.13 -38.47 51.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.312 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.85 HG13 HG21 ' A' ' 84' ' ' VAL . 91.0 t -65.24 -59.32 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.105 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD13 ' HB2' ' A' ' 67' ' ' LYS . 16.0 mt -57.23 -22.58 42.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.941 178.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.95 -32.6 65.35 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.621 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.583 ' SG ' HG12 ' A' ' 84' ' ' VAL . 8.9 p -44.03 164.19 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.856 0.36 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.844 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.8 mpt_? -98.09 -26.66 14.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.526 ' HB3' HG21 ' A' ' 77' ' ' VAL . . . -152.8 143.44 22.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.886 HG13 ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -129.73 137.65 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.026 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -151.61 -175.66 5.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.758 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.634 ' CB ' HD11 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -104.6 131.22 52.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.015 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.708 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -58.34 -43.81 88.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.952 0.406 . . . . 0.0 110.357 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtt -53.24 -25.39 14.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.789 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -166.28 73.86 0.17 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.424 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.8 OUTLIER -67.88 -17.91 64.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.479 -179.542 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -86.55 12.45 10.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.602 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.43 132.55 0.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.817 0.341 . . . . 0.0 111.256 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.11 177.5 4.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.002 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.64 HD11 ' CD1' ' A' ' 86' ' ' ILE . 2.7 mp -91.67 -67.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.379 . . . . 0.0 110.997 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER 175.62 154.01 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 179.496 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -45.79 -36.6 5.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.333 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.98 -34.41 61.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.504 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.84 -59.06 3.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.996 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.51 HG11 ' CB ' ' A' ' 72' ' ' ALA . 34.2 t -56.17 -40.78 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -42.84 92.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -57.17 -44.16 83.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.379 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.618 ' HA ' HD12 ' A' ' 47' ' ' ILE . 29.5 t80 -70.59 -34.8 72.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.3 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.499 ' CD ' HG12 ' A' ' 41' ' ' VAL . 6.9 mtp180 -66.84 -35.28 79.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.725 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.9 -34.09 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 44' ' ' TYR . 41.5 mt -61.45 -60.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' A' ' 17' ' ' LEU . 3.9 mt -62.65 -49.53 74.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.656 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -54.67 -32.15 58.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.901 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -69.27 -28.31 66.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.282 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -68.73 -33.37 73.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 111.037 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.681 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -64.55 -56.45 13.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.727 -179.177 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 2.3 pt20 -55.99 -33.56 64.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.739 0.304 . . . . 0.0 111.543 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.901 HG22 ' O ' ' A' ' 50' ' ' ALA . 10.5 m -94.43 22.28 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.501 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 35.4 t0 -90.67 161.66 15.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.752 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -79.38 -31.56 42.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.85 100.0 12.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.19 86.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.76 92.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -71.39 -38.32 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.3 t -51.49 -54.5 26.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -33.86 26.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -70.43 -52.22 23.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.681 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.13 -38.09 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.837 -179.83 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.652 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.26 -32.16 64.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.43 -41.46 24.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 109.965 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.718 ' HB2' HD13 ' A' ' 21' ' ' LEU . 5.4 mtmt -64.31 -27.32 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.837 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.633 ' O ' HD13 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -73.93 -31.27 62.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.989 179.15 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.43 -25.84 38.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.343 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -105.98 17.15 24.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.422 -179.722 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 29.8 t80 -65.23 129.39 39.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.246 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.886 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . 71.7 39.19 0.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.471 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 70' ' ' ASP . 65.3 t -107.06 146.29 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.861 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -69.41 103.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -126.19 142.87 51.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -63.83 109.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.844 HG22 ' HB3' ' A' ' 24' ' ' ARG . 22.7 t -95.58 139.15 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -134.33 -160.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.426 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -82.81 148.54 27.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.247 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.65 -31.06 7.53 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.448 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -82.6 -166.96 1.43 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HD3' HD23 ' A' ' 104' ' ' LEU . 1.8 mtm180 -146.79 155.3 42.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 111.415 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.672 HG23 HD21 ' A' ' 101' ' ' LEU . 94.0 t -112.44 116.23 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.96 179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.85 HG21 HG13 ' A' ' 20' ' ' VAL . 8.5 p -92.27 111.06 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 110.997 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.708 HG11 ' HB2' ' A' ' 29' ' ' ALA . 4.8 t -88.25 136.57 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.057 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.64 ' CD1' HD11 ' A' ' 36' ' ' LEU . 19.7 pt -73.01 -16.9 17.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.714 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.585 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -102.97 -44.59 5.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.973 0.416 . . . . 0.0 110.013 179.204 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.505 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.72 -173.15 21.94 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.237 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.784 ' O ' HG21 ' A' ' 115' ' ' THR . 12.0 tp -177.99 106.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.953 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.69 44.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.69 156.65 0.89 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 30.6 ttm -57.87 142.82 44.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.41 ' HB3' HD21 ' A' ' 89' ' ' LEU . . . -155.91 122.6 5.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.496 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 1.4 p-80 -63.6 152.42 38.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.991 0.424 . . . . 0.0 110.798 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -115.61 -34.74 4.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.584 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' ASP . 2.6 pttp 178.85 143.99 0.13 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.708 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 52.93 -85.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.09 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -138.95 1.69 2.08 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.933 HD22 HG12 ' A' ' 119' ' ' VAL . 12.0 mt -74.51 119.43 18.69 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.582 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -114.23 137.76 46.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.192 0.52 . . . . 0.0 111.496 -179.227 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.672 HD21 HG23 ' A' ' 83' ' ' VAL . 15.8 mt -98.16 123.91 42.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.5 t -110.53 137.11 20.62 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -48.11 123.73 9.22 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.669 2.246 . . . . 0.0 111.96 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.547 HD23 ' HD3' ' A' ' 82' ' ' ARG . 11.7 tp -120.9 -44.32 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.568 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 115' ' ' THR . 54.2 m -160.72 133.4 6.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 111.763 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 95.3 m -124.57 121.29 34.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.779 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 43.2 mttt -140.34 131.02 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 113' ' ' ARG . 22.9 t -93.65 140.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.678 HG11 HD22 ' A' ' 48' ' ' LEU . 21.6 t -142.53 114.74 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.453 ' HA3' HG21 ' A' ' 47' ' ' ILE . . . 70.36 36.03 69.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.507 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.9 28.35 64.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.514 ' C ' HG13 ' A' ' 108' ' ' VAL . 3.9 m -140.03 118.73 12.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.536 ' HA ' HG22 ' A' ' 108' ' ' VAL . 37.2 mtm180 -65.2 147.38 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.1 t -140.53 97.65 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.784 HG21 ' O ' ' A' ' 89' ' ' LEU . 89.9 m -104.87 140.74 37.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.3 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.502 HG23 ' HA ' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -122.17 142.06 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.797 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.568 ' HB2' HD22 ' A' ' 101' ' ' LEU . 83.6 m -132.42 138.36 47.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.177 -178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -69.22 141.32 54.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.873 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.933 HG12 HD22 ' A' ' 99' ' ' LEU . 2.4 t -89.49 102.83 13.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.104 0.478 . . . . 0.0 110.775 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.505 HG23 HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -122.1 138.44 52.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.693 -179.625 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.26 135.94 42.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.965 0.412 . . . . 0.0 111.181 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -80.13 157.03 26.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.751 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.792 HD13 ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -123.3 -84.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.525 0.202 . . . . 0.0 110.467 179.569 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.633 HG22 ' HA2' ' A' ' 110' ' ' GLY . 12.4 p -70.61 -43.89 68.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 110.2 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.686 ' O ' HD21 ' A' ' 9' ' ' LEU . . . -59.34 -24.0 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.574 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 5' ' ' THR . 86.7 m -128.03 48.64 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.381 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.674 HD11 ' H ' ' A' ' 110' ' ' GLY . 13.5 mt -49.45 93.07 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.27 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 53.6 38.85 29.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.283 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 66.08 66.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.974 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.726 HD13 ' HB3' ' A' ' 13' ' ' ASP . 4.6 pp -62.97 141.54 58.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.53 173.98 12.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.797 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.76 -26.57 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.426 ' HA ' ' CG ' ' A' ' 15' ' ' GLN . 31.9 p-10 -57.91 -31.84 67.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.726 ' HB3' HD13 ' A' ' 9' ' ' LEU . 8.2 t70 -59.32 -45.72 90.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.101 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.0 m-85 -64.83 -26.79 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HG2' ' H ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -81.03 -37.15 29.59 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.395 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CD1' ' HD3' ' A' ' 107' ' ' LYS . 21.9 t80 -62.23 -54.14 45.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.047 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.022 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -60.02 -36.41 77.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.142 0.496 . . . . 0.0 110.007 179.42 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.481 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 39.9 t -63.68 -30.75 71.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.42 -26.47 51.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.759 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.022 HG22 ' O ' ' A' ' 17' ' ' LEU . 6.1 m -69.7 -30.05 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.146 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.79 HD13 ' HB2' ' A' ' 67' ' ' LYS . 10.3 mt -70.04 -23.47 63.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -36.32 72.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.287 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.5 m -46.66 169.52 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.004 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.53 -45.24 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.559 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.17 140.22 49.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 111.282 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.836 HG11 ' CE1' ' A' ' 71' ' ' PHE . 21.9 t -118.56 107.22 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.952 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.808 ' HB3' HD23 ' A' ' 32' ' ' LEU . 1.2 mmp_? -141.52 -178.75 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.43 ' HB2' HD12 ' A' ' 86' ' ' ILE . 1.6 t -123.46 153.38 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.532 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -60.31 -44.29 95.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.1 mmt -56.35 -27.0 54.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.96 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 34' ' ' ALA . 0.6 OUTLIER -155.93 71.01 0.72 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' A' ' 27' ' ' ARG . 2.0 mt -67.9 -18.36 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.321 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.66 12.65 19.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.39 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' ND2' ' A' ' 31' ' ' ASN . . . -149.27 115.67 5.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 111.357 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -70.87 177.54 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD23 ' NE2' ' A' ' 40' ' ' GLN . 4.1 mp -94.17 -67.0 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 40' ' ' GLN . 0.1 OUTLIER 172.33 160.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.157 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -46.46 -50.12 17.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.362 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -34.42 78.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.547 ' NE2' HD23 ' A' ' 36' ' ' LEU . 6.5 mm-40 -67.85 -55.52 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.531 HG11 ' CB ' ' A' ' 72' ' ' ALA . 44.6 t -58.96 -43.46 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.98 92.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.7 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.437 ' O ' HG13 ' A' ' 47' ' ' ILE . 13.4 mm-40 -57.15 -51.84 67.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.152 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.422 ' CE2' HG23 ' A' ' 86' ' ' ILE . 8.9 t80 -61.28 -36.0 78.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.318 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -64.43 -33.71 76.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.801 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.484 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 3.9 m-20 -73.1 -25.76 60.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 43' ' ' GLN . 32.5 mt -64.01 -60.9 2.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.563 HD23 ' N ' ' A' ' 48' ' ' LEU . 1.8 mt -64.1 -47.36 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.495 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.425 ' HB2' HD13 ' A' ' 68' ' ' LEU . 14.9 t-20 -57.96 -30.79 66.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.645 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.502 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -69.25 -28.0 65.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.292 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 54' ' ' VAL . 32.8 t -70.74 -33.33 70.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.897 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -63.72 -56.47 15.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.695 -179.286 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 2.6 pt20 -53.0 -21.81 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.816 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.5 m -101.64 22.21 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.649 0.261 . . . . 0.0 111.208 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -91.34 166.55 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -29.42 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.04 99.23 10.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.03 -46.52 88.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.13 93.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -67.37 -40.44 85.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.9 p -60.41 -56.63 19.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.98 -33.9 26.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.318 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -61.51 -45.25 95.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.652 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.848 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.17 -36.2 74.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.479 179.639 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.897 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.6 mtt -54.81 -37.22 65.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.115 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.97 57.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.301 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.79 ' HB2' HD13 ' A' ' 21' ' ' LEU . 11.7 mtpp -71.01 -30.97 67.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.285 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.71 ' HA ' HD22 ' A' ' 21' ' ' LEU . 5.7 tt -76.53 -23.85 53.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.868 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.34 25.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.915 0.388 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -100.19 17.03 22.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.836 ' CE1' HG11 ' A' ' 26' ' ' VAL . 24.1 t80 -70.82 132.88 45.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.868 0.366 . . . . 0.0 111.18 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.531 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 59.29 55.66 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.526 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 70' ' ' ASP . 55.0 t -107.21 153.66 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.404 ' N ' HG12 ' A' ' 73' ' ' VAL . 12.2 mm-40 -69.35 108.49 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -169.49 144.68 3.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.68 141.65 30.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.561 ' CG1' HG21 ' A' ' 119' ' ' VAL . 24.7 t -81.44 154.51 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.545 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.417 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -138.57 165.4 26.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.471 -179.155 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.479 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.55 144.11 56.46 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.166 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.39 -31.16 7.34 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.96 -160.42 0.32 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.623 ' HE ' HD23 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -146.84 155.12 42.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.006 0.431 . . . . 0.0 111.595 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.2 t -118.23 118.95 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.257 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 84' ' ' VAL . 4.6 p -92.65 122.98 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 0.0 111.538 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 87' ' ' ASP . 5.2 t -101.54 116.22 44.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.271 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.43 HD12 ' HB2' ' A' ' 28' ' ' SER . 7.1 mt -57.61 -17.96 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.626 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.532 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 4.8 t0 -101.02 -44.21 5.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.127 0.489 . . . . 0.0 109.946 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.497 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.81 -163.33 25.01 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.138 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.849 HD23 ' SG ' ' A' ' 117' ' ' CYS . 11.9 tp -177.92 106.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.958 0.408 . . . . 0.0 110.976 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.15 35.7 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.62 173.09 2.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.408 ' SD ' HG11 ' A' ' 100' ' ' VAL . 24.2 ttp -84.68 130.91 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -137.74 145.63 42.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -75.35 152.38 38.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.897 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' HB2' HD11 ' A' ' 101' ' ' LEU . 69.9 t80 -126.72 -17.96 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.791 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -151.63 -167.61 2.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.046 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 -41.82 6.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.059 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -145.96 -6.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.54 119.74 19.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.787 0.327 . . . . 0.0 110.313 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.52 HG12 HG23 ' A' ' 120' ' ' VAL . 0.5 OUTLIER -110.18 155.35 11.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 95' ' ' PHE . 5.5 mt -116.04 124.03 49.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.905 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 103' ' ' PRO . 36.2 t -109.54 137.6 20.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.89 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 102' ' ' VAL . 6.1 Cg_endo -47.77 123.69 8.74 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.708 2.272 . . . . 0.0 112.12 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.623 HD23 ' HE ' ' A' ' 82' ' ' ARG . 11.7 tp -121.18 -45.16 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.477 ' HB ' HG13 ' A' ' 116' ' ' ILE . 54.7 m -160.88 128.91 4.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.027 0.442 . . . . 0.0 111.721 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 98.2 m -122.52 118.42 28.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.771 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.442 ' HD3' ' CD1' ' A' ' 16' ' ' PHE . 0.9 OUTLIER -139.71 138.44 35.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.928 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.21 136.93 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.232 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.465 HG11 HD22 ' A' ' 48' ' ' LEU . 21.4 t -142.17 114.98 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.674 ' H ' HD11 ' A' ' 6' ' ' LEU . . . 67.5 49.7 48.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 60.42 28.5 67.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.404 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m -142.41 125.41 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.337 . . . . 0.0 111.022 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 148.27 48.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 17.5 t -140.65 101.43 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.497 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 86.9 m -108.13 141.24 40.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.477 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -122.32 141.97 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.849 ' SG ' HD23 ' A' ' 89' ' ' LEU . 82.2 m -133.6 136.65 45.01 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.985 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.15 143.85 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.995 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.561 HG21 ' CG1' ' A' ' 77' ' ' VAL . 10.5 t -91.38 104.3 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.963 0.411 . . . . 0.0 110.72 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.52 HG23 HG12 ' A' ' 100' ' ' VAL . 0.9 OUTLIER -128.88 139.68 51.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.906 -179.612 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.44 124.3 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -69.13 101.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.913 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.806 0.336 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.63 -48.66 53.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -58.7 -26.39 63.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -32.09 73.49 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 20' ' ' VAL . 64.1 t80 -71.45 -36.86 71.38 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.993 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -68.25 -42.44 79.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.453 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -54.72 -33.52 61.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.217 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -38.77 52.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.37 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.049 HG13 HG21 ' A' ' 84' ' ' VAL . 91.8 t -61.16 -54.46 34.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.116 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.696 HD22 ' HA ' ' A' ' 68' ' ' LEU . 15.9 mt -60.18 -27.3 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.991 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -28.31 61.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.512 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.672 ' SG ' HD11 ' A' ' 116' ' ' ILE . 93.7 m -49.48 156.49 0.62 Allowed 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -94.09 -28.47 15.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.8 ' HB3' HG13 ' A' ' 83' ' ' VAL . . . -118.03 140.25 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.03 0.443 . . . . 0.0 111.422 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.573 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 15.3 t -139.54 107.45 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.453 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.734 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -148.5 -175.52 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 -179.368 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.629 ' HB2' HD11 ' A' ' 86' ' ' ILE . 2.0 t -110.53 139.77 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -59.89 -46.26 89.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.494 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -26.07 16.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.682 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -161.73 78.22 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.352 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.734 HD23 ' HB3' ' A' ' 27' ' ' ARG . 13.1 mt -72.43 -34.63 67.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.473 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -81.1 -12.95 59.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.685 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.0 127.7 30.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 111.469 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . . . -66.96 177.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.753 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 36' ' ' LEU . 4.1 mp -95.46 -66.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -175.85 163.61 2.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.616 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -56.75 -43.39 80.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.637 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -34.53 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.623 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.429 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 1.6 mp0 -61.2 -57.36 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 37' ' ' THR . 40.1 t -55.85 -43.51 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.53 78.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.758 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -58.13 -55.08 39.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.529 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.526 ' HA ' HD12 ' A' ' 47' ' ' ILE . 41.8 t80 -60.91 -33.66 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.354 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -37.54 87.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.599 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.6 -30.79 69.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 44' ' ' TYR . 63.8 mt -58.48 -60.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' A' ' 17' ' ' LEU . 4.6 mt -68.06 -43.95 77.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.519 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -54.42 -34.41 61.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.843 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -73.21 -27.94 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -33.36 74.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.12 0.486 . . . . 0.0 110.411 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.802 HD22 HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -62.69 -56.51 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.62 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -53.82 -59.74 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.218 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 50' ' ' ALA . 2.7 m -53.51 -23.62 7.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.622 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -48.02 164.94 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.823 0.344 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -87.64 -33.36 18.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -91.1 98.42 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.76 -30.11 70.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.12 -47.15 63.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -65.14 -40.98 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 p -54.01 -35.91 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -43.18 95.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -60.22 -54.73 42.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.802 HD12 HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -70.28 -33.74 71.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.64 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -54.04 -36.64 63.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.37 -32.65 37.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.509 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.86 -30.72 70.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.276 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.696 ' HA ' HD22 ' A' ' 21' ' ' LEU . 6.7 tt -76.69 -29.56 56.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.615 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.38 -24.17 28.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.072 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.2 16.99 25.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.573 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 46.7 t80 -51.35 127.54 20.01 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.879 0.371 . . . . 0.0 111.18 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.8 44.82 6.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.5 p -92.91 152.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.27 112.24 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -150.58 155.9 40.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -84.94 123.41 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 78' ' ' THR . 29.0 t -81.54 159.27 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.497 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -153.34 162.81 40.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.294 -179.156 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.75 147.94 52.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.966 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.69 -31.03 7.18 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.195 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.07 -158.14 0.09 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.455 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 3.8 mpt_? -155.66 149.8 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.073 0.463 . . . . 0.0 111.568 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.8 HG13 ' HB3' ' A' ' 25' ' ' ALA . 48.3 t -110.03 117.77 55.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.931 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.049 HG21 HG13 ' A' ' 20' ' ' VAL . 14.1 p -92.51 118.05 37.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.442 . . . . 0.0 111.208 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.583 HG12 ' H ' ' A' ' 87' ' ' ASP . 5.7 t -98.04 130.26 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.982 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.629 HD11 ' HB2' ' A' ' 28' ' ' SER . 16.9 pt -68.58 -15.18 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.655 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -104.82 -44.67 4.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.296 179.564 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . 135.8 -171.49 22.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.439 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.726 HD23 ' SG ' ' A' ' 117' ' ' CYS . 14.5 tp -177.94 106.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.606 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.89 -23.85 17.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.415 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.96 156.94 25.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 0.0 111.16 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.663 ' HG3' HG22 ' A' ' 102' ' ' VAL . 1.2 ttm -66.49 142.99 57.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.626 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -148.81 142.02 25.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.593 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 47.3 t-80 -69.06 152.73 44.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.979 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.519 ' HB2' HD11 ' A' ' 101' ' ' LEU . 64.6 t80 -120.03 -36.62 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.724 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.89 160.63 0.66 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.439 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.4 t70 44.41 -86.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 96' ' ' LYS . 70.1 m-20 -149.09 18.23 0.97 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.612 0.244 . . . . 0.0 111.092 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.47 HD22 HG12 ' A' ' 119' ' ' VAL . 20.1 mt -92.09 127.07 37.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.363 . . . . 0.0 110.464 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.527 HG21 ' SD ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -110.24 142.83 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.315 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -100.6 124.19 45.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.676 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.663 HG22 ' HG3' ' A' ' 92' ' ' MET . 33.9 t -111.18 137.14 20.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.413 ' HD2' HG13 ' A' ' 102' ' ' VAL . 6.2 Cg_endo -48.24 124.31 10.24 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.781 2.32 . . . . 0.0 111.965 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.601 ' HB3' HG22 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -118.21 -51.61 2.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.641 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.5 m -153.82 128.56 9.41 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.067 0.46 . . . . 0.0 112.111 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 86.5 m -117.64 122.7 44.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.777 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 30.9 mttp -136.74 138.68 41.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.41 118.02 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.046 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.29 128.07 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.17 28.74 64.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.27 32.62 42.65 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -137.79 120.48 16.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 139.8 58.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 34.4 t -140.52 98.74 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.697 HG21 ' O ' ' A' ' 89' ' ' LEU . 90.8 m -102.03 143.35 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.157 0.503 . . . . 0.0 111.272 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.672 HD11 ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -121.26 139.27 48.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.105 178.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.726 ' SG ' HD23 ' A' ' 89' ' ' LEU . 61.0 m -131.98 140.89 49.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.113 0.482 . . . . 0.0 112.282 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.568 ' HB2' HD13 ' A' ' 104' ' ' LEU . 10.0 t0 -75.31 138.31 41.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.895 178.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.47 HG12 HD22 ' A' ' 99' ' ' LEU . 2.1 t -87.74 102.91 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 110.559 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.525 HG23 HG12 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -120.02 141.15 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.152 -179.295 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -74.61 126.54 31.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.072 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.839 0.352 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -52.07 60.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.405 ' CE2' ' OD2' ' A' ' 55' ' ' ASP . 28.7 m-85 -63.06 -26.63 68.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.26 -34.82 71.07 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.52 ' O ' HG13 ' A' ' 20' ' ' VAL . 30.1 t80 -61.69 -36.79 81.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.938 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.747 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -69.96 -33.48 72.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.378 179.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.79 -34.21 62.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.54 -48.08 17.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.998 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 17' ' ' LEU . 2.4 m -61.11 -45.76 97.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 CA-C-O 120.932 0.396 . . . . 0.0 110.468 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 67' ' ' LYS . 86.7 mt -66.33 -21.95 66.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.664 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.77 -36.69 50.29 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.474 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.476 ' SG ' HG22 ' A' ' 116' ' ' ILE . 1.3 m -44.29 153.58 0.14 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.4 -47.78 9.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.37 140.77 48.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 111.365 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.754 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.5 t -122.52 107.28 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.792 ' NH2' ' HB2' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -129.83 -175.66 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.58 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.424 ' HB2' HD11 ' A' ' 86' ' ' ILE . 43.8 t -109.7 147.06 33.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -70.99 -48.45 53.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -25.46 22.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.659 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.71 73.92 0.92 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.561 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' ' 27' ' ' ARG . 1.2 mt -74.36 -18.07 60.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.384 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -81.99 0.94 37.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.56 155.8 6.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.998 0.428 . . . . 0.0 111.551 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.792 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . . . -79.24 177.53 8.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.893 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.503 ' HB3' ' HG2' ' A' ' 40' ' ' GLN . 5.0 mp -96.54 -66.91 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.87 150.57 2.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.586 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 p -49.75 -45.27 49.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.973 0.416 . . . . 0.0 110.5 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -75.1 -34.43 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.543 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.503 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 1.6 tp-100 -57.74 -58.86 6.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.961 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.66 -32.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.945 0.402 . . . . 0.0 110.7 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.98 89.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -57.05 -56.38 22.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.492 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -64.92 -33.72 76.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.241 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.422 ' O ' HD11 ' A' ' 68' ' ' LEU . 1.6 mtm180 -63.1 -34.08 76.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.747 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -38.61 65.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.061 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.5 mt -52.27 -61.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.747 ' HB3' HD21 ' A' ' 17' ' ' LEU . 2.6 mt -59.05 -49.74 76.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 110.406 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.418 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 4.3 t30 -54.68 -29.9 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.705 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.606 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -68.96 -28.22 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -70.18 -33.13 71.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.989 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.747 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.2 OUTLIER -66.63 -56.41 10.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.881 -179.133 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.485 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.46 -21.25 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.041 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 50' ' ' ALA . 2.7 m -94.98 22.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.696 0.284 . . . . 0.0 111.449 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD2' ' CE2' ' A' ' 14' ' ' PHE . 5.9 t0 -103.41 153.83 20.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.674 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -77.86 -35.54 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.042 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -81.14 99.11 8.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.23 86.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.27 78.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -65.22 -34.55 78.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -60.16 -49.28 78.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -51.78 -36.38 47.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -63.8 -48.89 75.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.7 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.21 -43.71 70.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.613 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.747 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -56.16 -37.85 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.37 -31.58 42.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.553 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -69.89 -33.21 71.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.372 179.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' ' 45' ' ' ARG . 2.3 tt -76.65 -24.97 53.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.755 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.55 -20.74 22.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.404 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.21 16.87 23.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.69 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.754 ' CE2' HG11 ' A' ' 26' ' ' VAL . 1.9 t80 -59.0 135.38 57.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.16 31.67 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.239 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.85 151.73 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.42 94.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -140.88 158.47 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.88 126.24 43.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.543 HG12 HG21 ' A' ' 119' ' ' VAL . 10.6 t -81.53 160.86 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.575 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.475 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -150.17 164.07 36.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.409 -179.212 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -61.31 145.73 50.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.04 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.64 -31.13 7.08 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -83.36 -158.13 0.28 Allowed 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.27 166.3 29.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.07 0.462 . . . . 0.0 111.588 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.588 ' CG2' HD21 ' A' ' 101' ' ' LEU . 64.3 t -132.29 121.84 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.217 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.535 HG13 HG13 ' A' ' 26' ' ' VAL . 7.7 p -92.85 131.43 39.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.061 0.457 . . . . 0.0 111.464 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.774 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.3 t -108.47 121.84 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.649 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.424 HD11 ' HB2' ' A' ' 28' ' ' SER . 1.8 pt -60.0 -19.34 17.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.801 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -102.04 -44.77 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.42 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.508 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.71 -170.36 23.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.629 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.462 HD23 ' SG ' ' A' ' 117' ' ' CYS . 2.8 tp -178.22 159.18 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.742 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -161.52 43.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -177.55 158.57 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.922 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -63.77 117.4 6.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.259 179.503 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -127.12 125.29 40.96 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.799 ' HA ' HG12 ' A' ' 100' ' ' VAL . 31.3 t-80 -55.76 149.42 14.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.968 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 96' ' ' LYS . 80.6 t80 -127.37 -30.24 2.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.407 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.45 148.13 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.732 0.301 . . . . 0.0 111.086 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.8 t70 46.67 -89.82 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.222 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' LYS . 57.3 m-20 -141.03 15.31 2.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.674 0.273 . . . . 0.0 111.146 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 121' ' ' LYS . 44.8 mt -98.69 124.59 43.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.168 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 94' ' ' HIS . 36.0 m -110.06 178.47 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.389 0.614 . . . . 0.0 112.05 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.588 HD21 ' CG2' ' A' ' 83' ' ' VAL . 18.3 mt -121.17 123.6 42.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.254 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.922 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.0 t -105.05 136.9 19.11 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.071 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.84 123.33 8.31 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.497 2.131 . . . . 0.0 111.422 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 104' ' ' LEU . 12.0 tp -118.91 -51.33 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.698 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.457 ' HB ' HG13 ' A' ' 116' ' ' ILE . 24.2 m -159.31 124.11 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.966 0.412 . . . . 0.0 111.624 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.586 HG23 ' OG1' ' A' ' 115' ' ' THR . 62.6 m -118.28 112.63 20.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.796 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 6.4 mttt -134.81 148.98 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.572 HG22 ' HA ' ' A' ' 113' ' ' ARG . 21.2 t -107.5 129.25 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.02 115.86 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 79.2 2.2 86.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.936 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.95 27.32 5.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.526 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.502 ' C ' HG13 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -139.54 119.74 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.572 ' HA ' HG22 ' A' ' 108' ' ' VAL . 0.1 OUTLIER -59.28 141.01 55.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 37.8 t -140.64 104.19 4.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.586 ' OG1' HG23 ' A' ' 106' ' ' THR . 96.4 m -109.16 141.47 41.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.923 0.392 . . . . 0.0 111.215 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.476 HG22 ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -122.19 142.29 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.541 ' HB2' HD22 ' A' ' 101' ' ' LEU . 75.6 m -134.94 138.73 44.34 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.9 139.03 50.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.773 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.543 HG21 HG12 ' A' ' 77' ' ' VAL . 2.7 t -87.82 114.37 26.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.794 0.33 . . . . 0.0 110.351 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.13 150.09 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.478 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.748 ' HA ' HD23 ' A' ' 99' ' ' LEU . 11.6 tppt? -74.44 146.46 42.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.063 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.038 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.823 0.345 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -52.07 45.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CE1' ' HA ' ' A' ' 52' ' ' LEU . 82.8 m-85 -70.18 -26.8 64.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -73.31 -34.22 65.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.19 0.519 . . . . 0.0 109.78 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.527 ' O ' HG13 ' A' ' 20' ' ' VAL . 70.4 t80 -61.75 -36.69 81.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.133 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.881 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -68.28 -33.6 74.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.619 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -35.92 68.21 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.64 -47.06 20.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.216 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.775 HG22 ' HA ' ' A' ' 17' ' ' LEU . 3.9 m -63.83 -33.31 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 CA-C-O 120.98 0.419 . . . . 0.0 110.496 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.034 HD21 HD12 ' A' ' 68' ' ' LEU . 45.0 mt -79.68 -13.76 59.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.816 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.42 -24.12 18.16 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.043 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.438 ' SG ' HG12 ' A' ' 84' ' ' VAL . 14.2 p -47.54 170.98 0.01 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.775 0.321 . . . . 0.0 111.105 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.821 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -107.66 -29.14 9.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.228 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.486 ' HB2' ' CG2' ' A' ' 77' ' ' VAL . . . -131.77 143.95 50.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 111.542 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.796 HG11 ' CE2' ' A' ' 71' ' ' PHE . 21.9 t -132.78 112.71 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.497 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.887 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -158.12 137.41 11.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.389 -179.448 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 p -69.62 143.13 53.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -58.12 -42.19 85.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mmt -51.92 -29.39 19.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.964 0.411 . . . . 0.0 111.012 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -152.94 66.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.887 HD23 ' HB3' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -64.1 -18.01 63.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.47 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.21 12.6 36.65 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.56 141.94 7.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.924 0.392 . . . . 0.0 111.587 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.81 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . . . -80.17 177.44 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.859 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HB3' ' HG2' ' A' ' 40' ' ' GLN . 5.1 mp -90.85 -66.93 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.621 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -171.73 167.27 6.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.693 179.657 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 m -57.1 -53.04 62.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.408 ' CE2' ' OE1' ' A' ' 40' ' ' GLN . 51.9 p90 -74.9 -34.28 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.421 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -55.28 -52.86 62.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.019 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 37' ' ' THR . 57.5 t -55.87 -42.33 70.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.816 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.31 83.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.09 -47.48 80.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.418 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.594 ' HA ' HD12 ' A' ' 47' ' ' ILE . 55.5 t80 -67.83 -40.57 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.106 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' HB3' HD23 ' A' ' 68' ' ' LEU . 23.2 mtm105 -63.1 -32.04 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.474 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -68.16 -33.38 74.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.55 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 44' ' ' TYR . 54.9 mt -58.51 -60.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.533 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.958 HD21 HG21 ' A' ' 109' ' ' VAL . 10.0 mt -64.13 -44.37 92.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.386 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.816 ' HA ' HD21 ' A' ' 52' ' ' LEU . 1.8 t30 -52.45 -31.33 34.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.66 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -75.61 -27.96 58.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.525 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -73.37 -35.33 65.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.816 HD21 ' HA ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER -74.5 -53.24 9.86 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.506 ' HB3' ' HE3' ' A' ' 65' ' ' MET . 1.6 pt20 -46.41 -25.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -91.25 22.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 8.6 t70 -80.12 168.01 19.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.827 0.346 . . . . 0.0 110.702 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -69.74 -34.31 73.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -107.14 110.36 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.1 77.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.59 91.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -32.33 70.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.2 m -62.19 -38.33 88.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -38.91 84.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 -60.28 -40.08 89.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.521 HD12 ' CB ' ' A' ' 52' ' ' LEU . 1.1 mt -70.14 -36.8 75.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.506 ' HE3' ' HB3' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -59.4 -35.17 73.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.35 -33.37 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.331 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.491 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -67.93 -30.76 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.261 179.506 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.034 HD12 HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -76.4 -28.32 56.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.516 179.518 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.39 -25.09 33.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.036 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.778 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -104.84 16.84 25.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.249 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.796 ' CE2' HG11 ' A' ' 26' ' ' VAL . 15.5 t80 -60.86 130.6 47.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.72 66.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.055 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.778 HG13 ' O ' ' A' ' 70' ' ' ASP . 3.9 m -103.83 155.74 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -76.84 89.88 3.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -142.28 160.02 41.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -89.57 124.81 34.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.821 HG22 ' HB3' ' A' ' 24' ' ' ARG . 23.9 t -81.56 141.65 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.78 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.72 161.41 22.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.349 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.436 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.17 149.8 40.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.135 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.21 -31.15 6.17 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.02 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -75.1 -158.13 0.07 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.432 ' HG2' HD22 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -150.2 157.67 43.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.102 0.477 . . . . 0.0 111.4 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.587 HG23 HD21 ' A' ' 101' ' ' LEU . 92.6 t -126.99 119.73 53.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.334 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.614 HG12 HG22 ' A' ' 26' ' ' VAL . 10.0 p -92.72 118.74 39.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.234 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 27' ' ' ARG . 11.6 t -94.75 133.21 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.403 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mt -67.89 -17.97 23.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.714 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.626 ' H ' HG12 ' A' ' 85' ' ' VAL . 9.2 t0 -104.61 -43.91 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.85 0.357 . . . . 0.0 110.139 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.512 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.33 -172.88 22.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.669 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.874 ' O ' HG21 ' A' ' 115' ' ' THR . 14.6 tp -177.88 136.78 0.18 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.724 0.297 . . . . 0.0 110.487 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -140.46 48.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.717 0.294 . . . . 0.0 111.334 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.99 160.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.033 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.935 ' HG3' HG22 ' A' ' 102' ' ' VAL . 3.4 ttt -67.58 123.74 21.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.315 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -134.1 126.23 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.87 ' HA ' HG12 ' A' ' 100' ' ' VAL . 16.1 t-80 -60.11 145.28 47.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CE2' ' HB ' ' A' ' 77' ' ' VAL . 84.0 t80 -123.56 -27.45 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.398 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.61 144.42 0.17 Allowed 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.672 0.273 . . . . 0.0 111.169 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.56 -89.77 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.7 OUTLIER -139.66 11.34 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.641 0.258 . . . . 0.0 111.406 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 121' ' ' LYS . 43.0 mt -93.9 121.76 35.69 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.781 0.324 . . . . 0.0 110.197 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.87 HG12 ' HA ' ' A' ' 94' ' ' HIS . 28.8 m -110.11 175.23 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.288 0.566 . . . . 0.0 111.597 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.587 HD21 HG23 ' A' ' 83' ' ' VAL . 16.1 mt -118.2 123.33 45.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.127 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.935 HG22 ' HG3' ' A' ' 92' ' ' MET . 18.9 t -106.41 135.22 19.52 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.65 123.51 8.34 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.5 2.133 . . . . 0.0 111.468 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' A' ' 118' ' ' ASP . 3.0 tp -117.67 -51.75 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.987 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.1 m -156.04 128.53 7.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.936 0.398 . . . . 0.0 112.062 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 89.9 m -117.85 104.94 11.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.5 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 9.8 ttmt -121.71 125.93 47.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.31 137.3 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.958 HG21 HD21 ' A' ' 48' ' ' LEU . 14.9 m -136.4 117.49 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.231 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.3 44.39 95.1 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.98 26.81 74.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.558 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.09 140.63 45.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.316 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 11.7 mtm-85 -81.58 140.17 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 17.7 t -140.62 93.94 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.767 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.874 HG21 ' O ' ' A' ' 89' ' ' LEU . 89.2 m -99.67 144.8 28.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.085 0.469 . . . . 0.0 111.344 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.6 HG23 ' HB3' ' A' ' 104' ' ' LEU . 3.3 tt -122.65 137.23 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.38 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.723 ' SG ' HD23 ' A' ' 89' ' ' LEU . 66.2 m -128.33 142.22 51.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.657 ' HB2' HD13 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -75.21 141.65 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.816 178.645 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 4.1 t -93.39 110.7 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.797 0.332 . . . . 0.0 110.376 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.14 151.2 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.475 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.559 ' HA ' HD23 ' A' ' 99' ' ' LEU . 5.2 ttmt -74.56 150.66 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.976 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.902 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.792 0.329 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.411 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -63.93 -52.16 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.517 ' HE2' ' HA ' ' A' ' 52' ' ' LEU . 94.5 m-85 -72.77 -28.32 62.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.985 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -36.63 62.02 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -63.12 -36.55 83.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.092 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -63.59 -37.93 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.62 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -33.48 67.93 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -49.24 14.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.496 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.998 HG23 HG21 ' A' ' 84' ' ' VAL . 6.9 p -54.38 -30.48 21.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-O 120.822 0.344 . . . . 0.0 111.249 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.651 HD22 ' HA ' ' A' ' 68' ' ' LEU . 75.2 mt -85.46 -35.8 21.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.688 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -21.1 62.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.793 ' SG ' HD11 ' A' ' 116' ' ' ILE . 33.7 m -55.2 162.25 1.49 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.42 -31.92 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.28 145.07 50.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.943 0.401 . . . . 0.0 111.455 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 71' ' ' PHE . 22.5 t -132.4 107.4 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.729 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.898 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -140.04 -175.55 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.686 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.753 ' HB2' HD11 ' A' ' 86' ' ' ILE . 1.6 t -111.63 145.18 39.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -65.35 -41.77 93.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.591 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.52 -27.03 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.67 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -153.63 69.79 0.82 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.898 HD23 ' HB3' ' A' ' 27' ' ' ARG . 5.3 mt -70.65 -18.07 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -76.39 -27.65 56.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.504 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -142.56 144.19 32.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 111.61 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.59 177.53 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 37' ' ' THR . 4.7 mp -86.28 -66.79 0.86 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 176.28 165.85 0.43 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.726 179.53 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.6 t -55.35 -45.66 76.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.638 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -34.56 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.635 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.507 ' NE2' HD23 ' A' ' 36' ' ' LEU . 5.0 mm-40 -61.08 -46.0 92.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' THR . 28.7 t -71.75 -38.29 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.96 95.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.068 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -57.13 -39.39 75.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.593 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.876 ' HA ' HD12 ' A' ' 47' ' ' ILE . 14.0 t80 -74.99 -38.22 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.48 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HB3' HD21 ' A' ' 68' ' ' LEU . 33.4 mtm180 -59.52 -46.79 87.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.791 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.14 -32.81 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.399 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 44' ' ' TYR . 54.1 mt -58.22 -61.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.194 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.791 HD12 HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -68.83 -38.32 79.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.399 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.617 ' HA ' HD21 ' A' ' 52' ' ' LEU . 10.0 t30 -57.33 -33.19 67.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.149 0.5 . . . . 0.0 109.858 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.607 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -71.12 -27.25 63.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.103 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -40.99 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.61 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.617 HD21 ' HA ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -76.24 -23.9 54.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.223 0.535 . . . . 0.0 110.978 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.607 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -49.71 -45.02 48.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.999 -179.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.26 22.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.136 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -73.81 139.84 45.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.766 0.317 . . . . 0.0 110.799 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -63.63 -31.08 72.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.97 101.1 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.32 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.42 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -33.99 73.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 t -58.86 -49.53 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -35.92 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.93 94.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.685 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 64' ' ' LEU . 2.1 mt -70.13 -34.25 72.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.526 ' HE2' HD11 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -65.44 -31.71 72.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.71 -39.46 27.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.482 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.637 ' HB2' HD13 ' A' ' 21' ' ' LEU . 13.7 mtpt -74.47 -37.94 63.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.319 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.824 ' O ' HD23 ' A' ' 68' ' ' LEU . 6.4 tt -76.89 -20.4 56.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.784 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -55.27 -27.53 47.21 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.744 ' CG ' HG22 ' A' ' 73' ' ' VAL . 5.7 t0 -109.69 -34.62 6.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.801 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CE2' HG11 ' A' ' 26' ' ' VAL . 5.0 t80 48.05 -85.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.752 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.543 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -88.34 89.19 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 111.024 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.744 HG22 ' CG ' ' A' ' 70' ' ' ASP . 3.2 t -103.19 140.23 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.7 89.88 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.742 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -134.22 139.82 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.71 122.71 17.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.771 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.562 HG21 ' CZ ' ' A' ' 95' ' ' PHE . 5.8 t -81.5 155.46 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.16 163.03 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.525 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.401 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -64.7 149.78 48.46 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.14 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -31.15 6.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.114 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.71 -159.97 0.32 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.414 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 4.2 mtm180 -148.65 156.43 42.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.11 0.481 . . . . 0.0 111.586 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.63 HG23 HD21 ' A' ' 101' ' ' LEU . 61.4 t -121.33 127.51 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.174 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.998 HG21 HG23 ' A' ' 20' ' ' VAL . 11.4 p -92.83 133.99 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.439 . . . . 0.0 111.601 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.59 HG11 ' HB2' ' A' ' 29' ' ' ALA . 4.1 t -116.14 111.87 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.747 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.753 HD11 ' HB2' ' A' ' 28' ' ' SER . 37.2 pt -53.93 -22.03 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.163 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.641 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 11.4 t0 -95.42 -44.19 7.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.068 0.461 . . . . 0.0 109.899 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.537 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.85 -173.52 21.8 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.335 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.843 ' O ' HG21 ' A' ' 115' ' ' THR . 3.9 mt -177.92 119.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.715 0.293 . . . . 0.0 110.573 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -126.11 40.88 3.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.344 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.439 HH11 HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -177.18 154.71 1.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.945 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.2 ttt -57.4 126.58 27.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.68 126.48 22.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.835 ' HA ' HG12 ' A' ' 100' ' ' VAL . 29.2 t-80 -55.27 149.02 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 91.4 t80 -129.2 -28.0 2.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.441 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' ASP . 16.9 ttpt 179.69 143.74 0.16 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.698 0.285 . . . . 0.0 111.167 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.58 -89.43 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.0 m-20 -140.01 15.14 2.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.683 0.277 . . . . 0.0 111.143 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.783 HD23 ' HA ' ' A' ' 121' ' ' LYS . 47.0 mt -97.78 125.0 42.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.18 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.835 HG12 ' HA ' ' A' ' 94' ' ' HIS . 30.7 m -109.95 177.92 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.388 0.613 . . . . 0.0 111.757 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.63 HD21 HG23 ' A' ' 83' ' ' VAL . 17.0 mt -122.25 123.39 41.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.235 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.945 HG22 ' HG3' ' A' ' 92' ' ' MET . 18.9 t -105.66 135.31 19.4 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.67 123.37 8.17 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.477 2.118 . . . . 0.0 111.604 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.614 ' HB3' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -119.81 -51.65 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.641 -179.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.4 m -154.61 123.74 6.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.113 0.482 . . . . 0.0 111.93 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.677 HG23 ' OG1' ' A' ' 115' ' ' THR . 21.0 m -116.4 111.03 19.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.764 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -131.71 119.94 22.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.57 120.16 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.068 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 m -116.09 121.6 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.33 -65.79 0.99 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.53 35.15 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.434 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.41 125.38 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 9.0 mtm180 -64.92 112.43 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.73 94.63 5.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.843 HG21 ' O ' ' A' ' 89' ' ' LEU . 99.3 m -96.86 142.56 28.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 110.841 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.793 HD11 ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -117.76 140.21 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.536 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.603 ' HB2' HD22 ' A' ' 101' ' ' LEU . 70.2 m -135.66 138.98 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.414 ' HA ' ' HG3' ' A' ' 82' ' ' ARG . 21.4 t0 -72.43 138.36 47.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.034 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 2.2 t -87.94 112.63 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.402 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.86 147.24 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 111.487 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.783 ' HA ' HD23 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -74.56 151.73 39.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.169 -179.73 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.956 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.47 -52.13 49.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -59.47 -26.95 65.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.731 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -73.43 -33.37 64.91 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.616 ' O ' HG13 ' A' ' 20' ' ' VAL . 78.0 t80 -63.31 -36.8 84.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.088 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.739 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.49 -40.34 96.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.221 179.529 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.4 m -54.89 -33.76 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.6 -46.38 22.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.166 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 16' ' ' PHE . 2.6 m -58.97 -46.11 91.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 120.838 0.351 . . . . 0.0 110.715 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.776 HD13 ' HB2' ' A' ' 67' ' ' LYS . 57.6 mt -66.81 -18.61 65.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.879 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -83.25 -28.62 29.05 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.736 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.462 ' SG ' HG21 ' A' ' 116' ' ' ILE . 78.0 m -46.22 170.12 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.854 0.359 . . . . 0.0 111.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.837 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -101.15 -52.21 3.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.233 -179.653 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.601 ' HB2' ' CG2' ' A' ' 77' ' ' VAL . . . -116.28 140.24 49.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 111.302 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -117.42 107.4 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.906 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 0.7 OUTLIER -135.47 174.75 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.407 ' O ' HD12 ' A' ' 32' ' ' LEU . 4.7 t -113.19 150.07 32.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.722 ' HB3' ' CB ' ' A' ' 87' ' ' ASP . . . -65.11 -48.11 74.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.638 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.65 -27.12 25.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.793 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.549 ' OD1' ' HB3' ' A' ' 34' ' ' ALA . 3.5 t-20 -158.85 75.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.586 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -76.02 -17.94 59.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.517 -179.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.01 12.43 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.52 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.549 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -178.19 140.34 0.22 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.799 0.333 . . . . 0.0 111.197 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.39 177.54 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD22 ' HG2' ' A' ' 40' ' ' GLN . 5.2 mp -90.84 -66.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.942 0.401 . . . . 0.0 111.007 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -171.9 160.21 5.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.717 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -45.86 78.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.442 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.08 -34.42 61.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.554 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.546 ' HG2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -58.66 -57.23 13.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.013 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 37' ' ' THR . 33.2 t -55.86 -34.99 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.051 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.14 89.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.46 ' O ' HG13 ' A' ' 47' ' ' ILE . 90.7 mt-30 -57.07 -45.22 83.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.386 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -68.72 -38.54 80.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.443 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -62.25 -32.53 73.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -27.13 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.615 HG22 HG12 ' A' ' 109' ' ' VAL . 9.8 mt -62.69 -61.05 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.739 ' HB3' HD21 ' A' ' 17' ' ' LEU . 3.2 mt -67.23 -35.91 80.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.681 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.19 -35.69 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.651 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -69.91 -27.92 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.029 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -33.17 73.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.046 0.45 . . . . 0.0 110.721 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.733 HD12 ' HG2' ' A' ' 65' ' ' MET . 1.0 OUTLIER -61.9 -56.69 16.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.823 -179.299 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -50.06 -25.32 3.32 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.23 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 50' ' ' ALA . 1.3 m -104.11 22.36 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.323 . . . . 0.0 111.445 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -87.79 164.58 15.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.691 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -79.91 -30.89 40.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -102.51 99.64 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.17 84.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.09 76.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -32.22 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -59.97 -39.86 87.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -52.1 -36.88 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -48.61 78.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.719 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.13 -34.26 72.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.733 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -64.71 -34.0 77.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 -179.744 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.7 -40.52 25.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.581 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.776 ' HB2' HD13 ' A' ' 21' ' ' LEU . 3.1 mtpp -72.93 -32.9 65.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.403 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 tt -76.91 -18.95 57.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.74 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -26.52 39.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.888 0.375 . . . . 0.0 110.992 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.705 ' CG ' HG22 ' A' ' 73' ' ' VAL . 3.8 t0 -111.51 -34.58 6.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.751 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 48.7 -84.24 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.98 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 70' ' ' ASP . . . -90.97 89.64 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.705 HG22 ' CG ' ' A' ' 70' ' ' ASP . 2.3 t -104.89 155.47 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.71 90.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -125.66 139.87 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.017 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.55 120.17 20.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.67 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.837 HG22 ' HB3' ' A' ' 24' ' ' ARG . 18.7 t -92.46 138.62 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -145.51 -159.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.419 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.461 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -77.08 143.99 38.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.234 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.37 -31.03 8.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.332 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -83.65 -158.04 0.28 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.1 156.61 33.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.13 0.491 . . . . 0.0 111.418 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.555 ' CG2' HD21 ' A' ' 101' ' ' LEU . 61.9 t -116.04 121.02 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.579 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 84' ' ' VAL . 8.2 p -92.76 119.14 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.993 0.425 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.612 HG11 ' HB2' ' A' ' 29' ' ' ALA . 2.7 t -98.16 121.72 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.873 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mt -56.88 -19.88 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.423 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.722 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -101.62 -44.17 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.111 0.481 . . . . 0.0 109.762 179.132 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.61 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.22 -170.93 23.05 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.371 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.833 ' O ' HG21 ' A' ' 115' ' ' THR . 19.2 tp -177.9 111.14 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 111.012 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.91 51.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.137 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.24 156.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.132 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.909 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -67.49 118.25 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -134.42 126.1 28.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.854 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.723 ' HA ' HG12 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -56.29 152.37 11.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.083 0.468 . . . . 0.0 111.22 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -122.83 -26.6 4.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.203 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 98' ' ' ASP . 22.5 ttpt 179.43 148.4 0.25 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.642 0.258 . . . . 0.0 110.77 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 49.1 -90.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 96' ' ' LYS . 27.9 m-20 -139.43 4.28 2.17 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 121' ' ' LYS . 21.3 mt -84.66 138.95 32.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.723 HG12 ' HA ' ' A' ' 94' ' ' HIS . 32.0 m -121.41 171.43 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.663 0.744 . . . . 0.0 112.428 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.555 HD21 ' CG2' ' A' ' 83' ' ' VAL . 21.0 mt -114.1 123.67 50.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.991 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.909 HG22 ' HG3' ' A' ' 92' ' ' MET . 20.8 t -109.75 136.13 20.36 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.288 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -47.9 122.87 7.74 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.586 2.191 . . . . 0.0 111.59 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 tp -124.3 -39.63 2.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.483 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.591 ' HB ' HG13 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -152.12 150.79 30.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.652 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.479 HG23 ' OG1' ' A' ' 115' ' ' THR . 86.3 m -147.81 106.72 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.434 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -130.51 133.87 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.061 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.574 HG22 ' CG ' ' A' ' 113' ' ' ARG . 20.9 t -100.4 141.8 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.71 HG11 HD22 ' A' ' 48' ' ' LEU . 20.9 t -142.47 115.39 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.223 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.21 29.08 69.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.51 5.27 84.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.814 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.523 ' C ' HG13 ' A' ' 108' ' ' VAL . 44.7 m -116.23 122.75 45.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.574 ' CG ' HG22 ' A' ' 108' ' ' VAL . 2.9 mtt-85 -70.19 148.94 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.9 t -140.59 93.21 2.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.66 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.833 HG21 ' O ' ' A' ' 89' ' ' LEU . 63.0 m -103.49 143.76 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.115 0.483 . . . . 0.0 111.365 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -121.3 141.96 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.365 178.225 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.691 ' SG ' HD23 ' A' ' 89' ' ' LEU . 84.7 m -131.91 133.67 44.83 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.74 136.11 50.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.092 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 78' ' ' THR . 2.1 t -86.4 113.68 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.777 0.322 . . . . 0.0 110.319 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.0 146.14 34.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.979 0.419 . . . . 0.0 111.555 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.67 ' HA ' HD23 ' A' ' 99' ' ' LEU . 3.7 ttmm -74.56 136.84 42.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.126 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.808 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -58.81 -50.37 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.403 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 6.4 m-85 -62.26 -26.61 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -34.25 74.73 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 20' ' ' VAL . 26.4 t80 -62.62 -36.73 83.71 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.827 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.646 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -68.36 -34.81 76.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.46 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.4 t -55.05 -36.54 65.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.23 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.05 -39.3 50.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.506 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.781 HG13 HG21 ' A' ' 84' ' ' VAL . 48.7 t -60.39 -52.08 65.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.914 0.388 . . . . 0.0 110.242 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 67' ' ' LYS . 5.7 mt -61.66 -20.04 62.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.012 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.66 -21.78 32.34 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.012 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 13.2 p -44.9 162.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 111.269 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.628 ' HB3' HG22 ' A' ' 77' ' ' VAL . 2.3 mpt_? -101.8 -30.81 11.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.64 144.45 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.354 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.575 HG11 ' CE2' ' A' ' 71' ' ' PHE . 40.7 t -121.82 127.69 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.735 ' HB3' HD23 ' A' ' 32' ' ' LEU . 4.7 mmt-85 -148.4 -176.04 5.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.589 ' OG ' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.95 139.38 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.75 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -66.06 -45.03 82.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.49 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -57.39 -26.29 60.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.723 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.72 66.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.653 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 27' ' ' ARG . 1.0 OUTLIER -70.78 -18.23 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.202 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -77.38 -4.02 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.486 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.93 136.43 1.52 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.819 0.342 . . . . 0.0 111.365 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.56 177.51 2.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.746 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 36' ' ' LEU . 4.1 mp -87.61 -66.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 111.076 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.23 149.99 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.609 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.18 -42.29 29.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -74.94 -34.53 62.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.482 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.527 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -60.23 -58.81 6.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.054 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.82 HG11 ' CB ' ' A' ' 72' ' ' ALA . 46.0 t -61.6 -37.59 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.71 79.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.738 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -57.16 -36.74 71.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.025 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.624 ' HA ' HD12 ' A' ' 47' ' ' ILE . 18.9 t80 -70.91 -35.01 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.995 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.417 ' HG3' ' CD2' ' A' ' 71' ' ' PHE . 10.7 mtp180 -62.87 -37.41 86.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.553 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -34.5 77.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.704 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 44' ' ' TYR . 77.7 mt -54.89 -60.96 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.646 ' HB3' HD21 ' A' ' 17' ' ' LEU . 8.8 mt -60.89 -37.82 83.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.222 0.534 . . . . 0.0 109.801 178.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.66 -35.59 72.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.419 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -65.38 -27.98 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.449 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.14 -33.42 75.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.519 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.886 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.04 -23.89 58.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.361 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -67.23 -62.69 1.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.33 -178.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -61.05 -19.36 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.62 -178.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' OD2' ' CZ ' ' A' ' 14' ' ' PHE . 14.3 t70 -47.93 148.73 1.56 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.775 0.321 . . . . 0.0 111.244 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -73.54 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.9 95.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.93 71.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.32 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -31.95 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.9 p -56.34 -44.75 80.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -52.39 -33.89 45.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.332 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -57.38 -47.44 81.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.886 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.22 -34.29 72.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.503 179.742 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.844 ' HG2' HD12 ' A' ' 52' ' ' LEU . 4.0 mtt -61.42 -30.05 70.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.5 -34.88 40.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.416 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HB2' HD13 ' A' ' 21' ' ' LEU . 6.9 mtpt -69.63 -30.04 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.164 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.414 HD11 ' O ' ' A' ' 45' ' ' ARG . 5.2 tt -76.76 -25.69 53.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.623 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.95 -30.9 62.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.49 16.88 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.225 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.583 ' HE1' HG12 ' A' ' 20' ' ' VAL . 24.7 t80 -71.11 139.54 50.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.362 . . . . 0.0 111.267 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.82 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 59.85 31.05 20.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.577 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 74' ' ' GLU . 92.9 t -100.49 155.76 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.858 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' HG12 ' A' ' 73' ' ' VAL . 11.0 mt-10 -69.16 93.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.917 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -123.61 148.33 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.74 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.52 120.52 21.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.03 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 24' ' ' ARG . 46.8 t -81.59 158.45 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.49 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -155.31 159.21 39.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.198 -179.278 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.83 149.86 46.05 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.156 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.08 -31.01 6.56 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.024 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -158.09 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.484 ' HB3' HG12 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -148.15 153.91 39.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.049 0.452 . . . . 0.0 111.67 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.404 HG23 HG22 ' A' ' 119' ' ' VAL . 46.2 t -114.93 119.97 63.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.32 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.781 HG21 HG13 ' A' ' 20' ' ' VAL . 14.5 p -95.91 127.29 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.994 0.426 . . . . 0.0 111.49 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.679 HG11 ' HB2' ' A' ' 29' ' ' ALA . 2.4 t -109.76 131.0 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.71 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 28' ' ' SER . 35.2 pt -70.6 -10.17 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 7.3 m-20 -109.21 -44.59 3.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.979 0.419 . . . . 0.0 110.184 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.489 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 135.91 -174.88 21.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.56 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.85 ' O ' HG21 ' A' ' 115' ' ' THR . 16.3 tp -177.92 106.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 110.649 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -99.59 -26.01 14.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.73 153.04 21.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.428 ' SD ' HG22 ' A' ' 102' ' ' VAL . 30.2 ttp -70.05 135.31 49.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -145.57 150.43 36.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.305 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.4 OUTLIER -83.73 152.5 24.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.947 0.403 . . . . 0.0 110.859 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.627 ' HB2' HD21 ' A' ' 101' ' ' LEU . 50.2 t80 -109.47 -30.97 7.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 98' ' ' ASP . 17.5 pttp 178.98 154.73 0.43 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.787 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.25 -88.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.029 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LYS . 12.0 m-20 -141.0 4.19 1.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.458 HD22 HG12 ' A' ' 119' ' ' VAL . 14.5 mt -74.62 119.57 19.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.585 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -110.18 137.66 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.066 0.46 . . . . 0.0 111.404 -179.414 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 95' ' ' PHE . 1.5 mt -97.73 123.72 41.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.478 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.428 HG22 ' SD ' ' A' ' 92' ' ' MET . 22.0 t -107.74 137.43 19.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.409 ' HD2' HG13 ' A' ' 102' ' ' VAL . 5.5 Cg_endo -47.41 123.57 8.13 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.689 2.259 . . . . 0.0 112.018 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.653 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.5 tp -118.71 -51.38 2.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.653 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.502 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.4 m -154.16 127.47 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.943 0.401 . . . . 0.0 111.819 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.466 HG23 ' OG1' ' A' ' 115' ' ' THR . 91.7 m -119.85 104.54 10.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.769 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.454 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -130.77 147.74 52.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.5 t -106.05 140.82 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' A' ' 48' ' ' LEU . 7.2 p -142.64 130.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.28 -62.06 3.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.12 41.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -163.82 133.37 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 146.11 49.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.0 m -140.51 98.56 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.199 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.85 HG21 ' O ' ' A' ' 89' ' ' LEU . 97.7 m -103.56 143.52 32.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 0.0 110.992 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.653 HG23 ' HB3' ' A' ' 104' ' ' LEU . 3.9 tt -122.73 141.69 42.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.998 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.615 ' SG ' HD23 ' A' ' 89' ' ' LEU . 61.0 m -134.21 138.1 44.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 112.057 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.16 148.81 50.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.867 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.458 HG12 HD22 ' A' ' 99' ' ' LEU . 2.4 t -97.1 103.05 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.031 0.444 . . . . 0.0 110.594 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -127.06 139.77 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.967 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -74.5 130.67 40.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.86 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.841 0.353 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.58 -52.14 66.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 38.5 m-85 -67.79 -26.87 66.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.711 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -34.02 66.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' O ' HG23 ' A' ' 20' ' ' VAL . 82.4 t80 -62.3 -36.77 83.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.06 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.614 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.3 -40.17 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.325 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -35.05 63.56 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.942 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -77.1 -37.83 53.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.231 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.632 HG13 HG21 ' A' ' 84' ' ' VAL . 45.4 t -64.83 -58.53 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.39 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 67' ' ' LYS . 42.9 mt -58.43 -23.5 57.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.839 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.21 -32.05 64.54 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.522 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 m -48.64 176.83 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.27 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.702 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -106.22 -62.96 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.26 140.06 49.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.754 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 1.5 p -124.19 126.32 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.073 0.464 . . . . 0.0 111.246 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.713 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -143.98 -176.49 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.534 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.445 ' N ' HD12 ' A' ' 86' ' ' ILE . 18.6 p -109.61 134.01 52.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.779 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.818 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -57.69 -43.99 85.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.764 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtp -54.82 -25.93 31.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.483 ' OD1' ' HB3' ' A' ' 34' ' ' ALA . 4.4 t-20 -155.65 67.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.572 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.713 HD23 ' CB ' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -68.37 -18.02 64.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.438 -179.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -88.34 12.42 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -178.61 141.6 0.21 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.918 0.389 . . . . 0.0 111.633 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.08 177.53 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.731 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.569 HD22 ' HG2' ' A' ' 40' ' ' GLN . 4.9 mp -85.31 -67.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.743 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.883 HG22 ' HB2' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -179.64 -177.28 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 178.653 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 37' ' ' THR . 1.3 m -55.8 -76.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.498 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.697 ' CE2' HG21 ' A' ' 37' ' ' THR . 38.0 p90 -52.79 -37.65 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.659 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.883 ' HB2' HG22 ' A' ' 37' ' ' THR . 0.0 OUTLIER -55.25 -59.01 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.452 HG11 HH21 ' A' ' 45' ' ' ARG . 87.4 t -56.97 -39.6 66.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.911 0.386 . . . . 0.0 110.648 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.51 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.783 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.15 -56.35 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.43 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.501 ' HA ' HD12 ' A' ' 47' ' ' ILE . 3.0 t80 -58.92 -36.68 75.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.245 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.624 HH21 ' HB3' ' A' ' 72' ' ' ALA . 37.5 mtt180 -63.83 -33.83 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.503 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.68 -30.89 64.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 44' ' ' TYR . 64.5 mt -57.81 -61.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.738 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.652 ' N ' HD23 ' A' ' 48' ' ' LEU . 1.5 mt -68.45 -42.11 79.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.465 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.16 -30.4 70.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.673 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -72.12 -27.91 62.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -68.43 -33.23 73.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.847 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.6 OUTLIER -61.98 -56.69 16.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.832 -179.277 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -49.31 -25.97 2.77 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 50' ' ' ALA . 1.8 m -105.06 22.33 2.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.745 0.307 . . . . 0.0 111.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 27.3 t0 -93.54 159.62 15.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.809 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -70.54 -45.71 64.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.82 94.73 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.81 -29.78 69.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -40.11 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -32.16 65.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.3 p -61.99 -48.93 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.069 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -53.42 -39.36 64.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.201 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -59.58 -40.85 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.623 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -70.3 -38.06 74.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.847 ' HG2' HD12 ' A' ' 52' ' ' LEU . 3.4 mtt -58.16 -31.37 67.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.046 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.48 -34.13 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.621 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HB2' HD13 ' A' ' 21' ' ' LEU . 14.5 mtmt -73.18 -33.04 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.353 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 45' ' ' ARG . 7.2 tt -76.81 -21.55 54.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.833 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.26 -25.49 34.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.257 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -103.39 17.03 25.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.266 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.754 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 28.4 t80 -63.46 129.84 41.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 111.378 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.624 ' HB3' HH21 ' A' ' 45' ' ' ARG . . . 66.53 36.14 5.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.621 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 74' ' ' GLU . 68.7 t -107.29 155.78 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.956 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.447 ' N ' HG12 ' A' ' 73' ' ' VAL . 1.8 mm-40 -69.37 91.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -118.5 139.64 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.771 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.33 111.84 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.702 HG22 ' HB3' ' A' ' 24' ' ' ARG . 48.0 t -81.45 157.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.475 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -154.74 160.1 41.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.333 -179.067 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -63.18 149.81 44.46 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.048 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.14 -31.22 6.44 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.18 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.44 -159.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -147.92 153.19 38.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.079 0.466 . . . . 0.0 111.512 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.68 121.64 68.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.279 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.732 HG13 HG23 ' A' ' 26' ' ' VAL . 1.5 p -92.77 126.27 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.49 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 29' ' ' ALA . 16.4 t -108.2 117.33 53.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.911 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.68 HD12 ' C ' ' A' ' 27' ' ' ARG . 2.3 mt -57.93 -16.24 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.511 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -103.08 -44.23 5.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.172 0.51 . . . . 0.0 109.925 179.296 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.495 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.21 -164.37 25.06 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.219 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.868 HD23 ' SG ' ' A' ' 117' ' ' CYS . 12.6 tp -177.85 107.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.952 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.41 41.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.67 157.05 1.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.614 ' CE ' HG22 ' A' ' 102' ' ' VAL . 23.2 ttm -73.73 126.41 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.642 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.59 149.61 44.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.634 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -82.18 152.67 26.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.985 179.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.702 ' HB2' HD21 ' A' ' 101' ' ' LEU . 17.3 t80 -110.96 -35.3 5.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.178 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' ASP . 10.6 pttp 178.95 162.48 0.76 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 44.84 -90.41 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.8 m-20 -145.89 12.53 1.27 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.62 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.763 HD22 HG12 ' A' ' 119' ' ' VAL . 13.4 mt -85.04 122.41 29.21 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.531 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -109.9 137.71 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.133 0.492 . . . . 0.0 111.467 -179.023 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 95' ' ' PHE . 0.6 OUTLIER -98.62 123.94 43.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.394 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.614 HG22 ' CE ' ' A' ' 92' ' ' MET . 19.1 t -108.41 131.75 21.56 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.103 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -46.88 123.38 7.2 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.152 1.901 . . . . 0.0 111.669 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.8 tp -121.83 -36.35 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.58 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' A' ' 115' ' ' THR . 42.4 m -163.15 150.85 13.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 111.458 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.662 HG23 ' OG1' ' A' ' 115' ' ' THR . 27.5 m -143.59 114.36 7.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.694 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.431 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 13.0 mttp -129.01 138.7 52.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.029 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.746 HG22 ' HG2' ' A' ' 113' ' ' ARG . 16.2 t -104.67 118.34 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.2 t -115.57 121.52 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.055 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.9 -75.68 1.68 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.567 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -165.26 30.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.424 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -149.14 132.47 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.746 ' HG2' HG22 ' A' ' 108' ' ' VAL . 5.8 mtm-85 -67.14 151.47 47.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 26.4 m -140.48 92.23 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.662 ' OG1' HG23 ' A' ' 106' ' ' THR . 87.7 m -100.36 141.53 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.277 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -123.54 141.97 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.7 178.414 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.868 ' SG ' HD23 ' A' ' 89' ' ' LEU . 41.6 m -132.13 135.22 46.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.988 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.09 147.07 51.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.221 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.763 HG12 HD22 ' A' ' 99' ' ' LEU . 3.1 t -94.97 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.952 0.406 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.428 HG23 HG12 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -125.91 141.17 46.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.841 -179.462 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 135.56 42.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.959 0.409 . . . . 0.0 111.028 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.971 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.761 0.315 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -60.78 -52.08 66.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.631 ' HA ' HD23 ' A' ' 17' ' ' LEU . 21.4 m-85 -62.5 -26.77 68.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -76.43 -30.66 57.5 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.03 0.443 . . . . 0.0 110.113 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 15.6 t80 -72.41 -54.07 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.696 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.953 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -60.67 -36.9 79.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.72 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.519 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 3.3 p -59.56 -32.86 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 109.817 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.36 -26.72 52.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.155 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.953 HG22 ' O ' ' A' ' 17' ' ' LEU . 4.4 m -70.28 -30.71 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.193 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 68' ' ' LEU . 5.2 mt -74.8 -23.45 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -80.37 -23.06 40.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.681 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.682 ' SG ' HG12 ' A' ' 84' ' ' VAL . 3.8 p -47.7 171.14 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.78 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.6 mpt_? -103.46 -24.45 13.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.502 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.619 ' HB2' ' CG2' ' A' ' 77' ' ' VAL . . . -139.13 142.81 38.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 111.423 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG11 ' CE2' ' A' ' 71' ' ' PHE . 40.7 t -126.2 111.6 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.821 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.757 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -143.03 -175.52 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.528 ' OG ' HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -113.67 141.18 47.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . -61.08 -52.83 63.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -25.77 17.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.958 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -151.83 72.95 1.04 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.566 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.757 HD23 ' CB ' ' A' ' 27' ' ' ARG . 1.3 mt -75.85 -17.97 59.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.341 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.29 12.47 13.9 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -172.99 160.76 4.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.898 0.38 . . . . 0.0 111.366 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.678 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -96.77 177.47 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' OG ' ' A' ' 28' ' ' SER . 4.1 mp -95.69 -67.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.676 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 40' ' ' GLN . 5.2 t 171.61 157.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.556 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -38.16 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.355 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -34.69 61.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.625 ' H ' HG23 ' A' ' 37' ' ' THR . 6.3 mm-40 -69.97 -55.68 8.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.04 -37.3 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.713 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.588 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . . . -65.33 -37.58 87.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.058 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -38.07 72.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.082 0.468 . . . . 0.0 109.994 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.886 ' HA ' HD12 ' A' ' 47' ' ' ILE . 9.6 t80 -75.91 -47.68 24.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.485 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.588 ' HG2' ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.98 -26.77 67.8 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.79 -30.35 56.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.699 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' A' ' 44' ' ' TYR . 36.2 mt -58.79 -61.26 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.792 HD12 ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -68.59 -36.78 79.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.686 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -56.92 -37.99 72.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.059 0.457 . . . . 0.0 110.101 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.658 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -68.67 -27.6 66.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.306 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.402 ' HA ' ' CG2' ' A' ' 54' ' ' VAL . 14.3 t -66.74 -33.24 75.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.883 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.817 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -66.88 -39.92 87.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.194 -178.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -79.23 5.29 12.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.101 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 50' ' ' ALA . 2.0 m -124.21 22.27 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 111.243 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -97.02 170.85 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.811 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.34 -39.67 20.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -86.54 109.2 18.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.59 86.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.21 94.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -60.31 -50.67 72.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -52.03 -51.62 56.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.0 mtt85 -50.98 -33.76 26.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.0 -44.09 64.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.817 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.17 -38.27 75.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.564 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.649 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -56.73 -35.07 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.925 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.24 -33.98 43.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.15 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB2' HD13 ' A' ' 21' ' ' LEU . 2.2 mtmm -67.29 -28.34 67.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.021 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.792 ' CD1' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.46 -29.81 57.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.303 179.3 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.37 -25.62 59.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.82 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.632 ' OD2' HG11 ' A' ' 73' ' ' VAL . 37.3 t70 -100.53 16.85 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.432 ' CE2' HG11 ' A' ' 26' ' ' VAL . 31.3 t80 -62.61 131.44 49.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 111.179 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.71 34.43 23.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.358 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.632 HG11 ' OD2' ' A' ' 70' ' ' ASP . 9.3 p -74.66 155.98 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.081 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -69.22 96.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -143.79 144.39 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.784 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.12 134.09 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.78 HG22 ' HB3' ' A' ' 24' ' ' ARG . 48.9 t -83.79 155.71 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.701 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.444 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -146.78 157.91 43.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.115 -179.324 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 119' ' ' VAL . . . -61.39 149.26 38.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.144 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.53 -31.12 6.66 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.31 -158.14 0.15 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 158.28 39.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.208 0.527 . . . . 0.0 111.563 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.731 HG23 HD21 ' A' ' 101' ' ' LEU . 45.7 t -120.11 127.94 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.579 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.729 HG21 ' HB ' ' A' ' 20' ' ' VAL . 14.5 p -92.78 131.69 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.123 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.469 HG11 ' HB2' ' A' ' 29' ' ' ALA . 2.4 t -109.64 144.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.053 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 28' ' ' SER . 5.6 pt -81.82 -18.72 11.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.795 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.65 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 50.1 m-20 -105.82 -44.13 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.168 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . 136.26 -174.77 21.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.786 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.807 ' O ' HG21 ' A' ' 115' ' ' THR . 8.3 tp -178.02 115.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.706 0.288 . . . . 0.0 110.79 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.88 44.34 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.202 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.94 153.73 0.84 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.959 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.7 ttt -57.44 124.41 18.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.53 ' HB3' HD21 ' A' ' 89' ' ' LEU . . . -134.05 126.7 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.978 0.418 . . . . 0.0 111.959 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.79 ' HA ' HG12 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -60.03 141.89 54.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.155 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 95' ' ' PHE . 89.5 t80 -134.32 0.64 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.549 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 -167.63 1.53 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.725 0.297 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.42 -46.28 18.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.19 19.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.481 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.647 HD23 ' HA ' ' A' ' 121' ' ' LYS . 28.9 mt -108.34 123.2 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 94' ' ' HIS . 34.4 m -110.07 179.64 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.367 0.603 . . . . 0.0 111.869 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.731 HD21 HG23 ' A' ' 83' ' ' VAL . 14.5 mt -124.65 123.48 40.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.983 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.959 HG22 ' HG3' ' A' ' 92' ' ' MET . 17.0 t -106.09 136.82 19.27 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.036 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.69 123.35 8.16 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.513 2.142 . . . . 0.0 111.59 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.529 ' HB3' HG22 ' A' ' 116' ' ' ILE . 11.2 tp -122.97 -51.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.569 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.515 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.8 m -146.37 123.44 11.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.989 0.423 . . . . 0.0 111.607 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 m -117.43 121.41 40.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.782 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 22.7 mttp -146.09 135.13 22.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.741 HG22 ' HG2' ' A' ' 113' ' ' ARG . 11.8 t -100.1 142.61 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.954 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -142.61 122.79 10.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.035 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.74 34.18 85.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.26 28.55 57.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.401 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.547 ' C ' HG13 ' A' ' 108' ' ' VAL . 50.2 m -138.54 118.76 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.741 ' HG2' HG22 ' A' ' 108' ' ' VAL . 15.4 mtm180 -68.63 146.53 52.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 m -140.56 104.57 4.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.807 HG21 ' O ' ' A' ' 89' ' ' LEU . 98.1 m -108.09 141.17 40.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.125 0.488 . . . . 0.0 111.403 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.529 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -118.93 133.37 65.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.199 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.671 ' HB2' HD22 ' A' ' 101' ' ' LEU . 71.2 m -129.56 140.18 51.3 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.83 138.4 44.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.623 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.621 HG21 ' CG1' ' A' ' 77' ' ' VAL . 2.7 t -87.33 115.65 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.794 0.33 . . . . 0.0 110.33 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.98 149.11 30.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.266 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.647 ' HA ' HD23 ' A' ' 99' ' ' LEU . 28.2 ttmt -74.54 149.36 40.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.907 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.789 0.328 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -52.13 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.45 ' HA ' HD23 ' A' ' 17' ' ' LEU . 40.7 m-85 -59.01 -27.66 65.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.81 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -81.28 -33.42 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.335 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.522 ' HE2' HG22 ' A' ' 105' ' ' THR . 10.7 t80 -73.07 -54.2 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.558 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.988 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -59.48 -36.2 75.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.48 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.474 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -59.31 -33.96 71.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.152 0.501 . . . . 0.0 109.688 179.308 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.31 -24.38 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.089 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.988 HG22 ' O ' ' A' ' 17' ' ' LEU . 4.3 m -71.77 -29.53 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.347 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 68' ' ' LEU . 14.4 mt -76.45 -18.22 58.9 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -25.05 30.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.582 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.523 ' SG ' HG12 ' A' ' 84' ' ' VAL . 7.2 p -50.16 176.62 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.737 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -112.22 2.18 16.51 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.655 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.839 ' HB3' HG13 ' A' ' 83' ' ' VAL . . . -164.65 140.31 5.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.934 0.397 . . . . 0.0 111.576 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.576 HG13 HG13 ' A' ' 84' ' ' VAL . 11.9 t -131.27 107.39 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.589 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.674 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -157.76 134.01 9.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.391 . . . . 0.0 111.115 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.408 ' CB ' ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -65.6 145.19 56.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.242 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -58.42 -44.28 89.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.8 mmt -51.78 -31.0 25.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.717 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.513 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 68.4 m-20 -149.8 64.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.225 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -58.38 -19.64 37.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.618 -179.347 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -109.25 -14.26 14.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.502 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . . . -118.56 140.77 49.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 111.446 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.49 177.52 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.68 ' N ' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.44 -66.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.432 . . . . 0.0 110.743 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.804 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER 176.57 168.59 0.49 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -51.37 -54.24 28.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.115 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 40' ' ' GLN . 55.3 p90 -74.96 -34.54 62.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.451 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 15.3 mt-30 -66.23 -40.18 90.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.328 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 37' ' ' THR . 89.1 t -66.75 -39.7 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 110.798 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.55 -28.01 69.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.519 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -57.02 -44.91 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.529 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.538 ' HA ' HD12 ' A' ' 47' ' ' ILE . 29.5 t80 -69.46 -42.16 75.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.433 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.58 ' HB3' HD21 ' A' ' 68' ' ' LEU . 15.4 mtm180 -59.66 -30.67 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.755 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -72.59 -31.59 65.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.803 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 44' ' ' TYR . 67.2 mt -58.4 -59.45 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 48' ' ' LEU . 3.3 mt -66.89 -44.89 79.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.748 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.1 -31.53 67.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.8 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -71.6 -27.98 63.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -33.17 74.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.87 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.856 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.6 OUTLIER -63.59 -56.44 15.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.078 -179.111 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -49.18 -25.55 2.3 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.007 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -103.5 22.27 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.719 0.295 . . . . 0.0 111.316 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 26.9 t0 -98.07 144.78 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.769 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -56.25 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 60' ' ' ARG . 40.6 m-20 -64.81 100.1 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.82 -48.54 68.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.97 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.175 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 4.5 mtt180 -63.16 -43.07 99.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 t -56.06 -33.24 64.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.195 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -63.33 -50.63 69.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.976 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.671 ' HG3' HD23 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -59.38 -32.4 70.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.201 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.816 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -69.79 -42.06 74.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.419 . . . . 0.0 110.149 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.856 ' HG2' HD12 ' A' ' 52' ' ' LEU . 1.8 mtt -58.36 -30.12 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.44 -36.71 33.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.023 0.44 . . . . 0.0 110.324 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.575 ' HB2' HD13 ' A' ' 21' ' ' LEU . 1.2 mtmm -72.16 -32.5 66.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.751 ' HA ' HD22 ' A' ' 21' ' ' LEU . 7.6 tt -74.46 -23.33 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.431 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.35 -31.28 61.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.993 0.425 . . . . 0.0 110.718 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.751 ' OD2' HG11 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -89.49 -34.6 16.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.419 179.649 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.406 ' CD2' ' HD3' ' A' ' 45' ' ' ARG . 45.2 t80 39.53 -92.24 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.963 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -110.89 58.01 0.62 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.9 0.381 . . . . 0.0 111.223 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.751 HG11 ' OD2' ' A' ' 70' ' ' ASP . 8.7 p -73.51 145.11 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.32 91.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.004 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -127.79 158.45 37.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.803 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -84.16 123.6 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.737 HG22 ' HB3' ' A' ' 24' ' ' ARG . 52.1 t -81.55 143.66 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.309 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.63 162.21 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.545 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 119' ' ' VAL . . . -63.3 147.82 50.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.999 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 -31.14 6.66 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -80.7 -158.05 0.18 Allowed 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.16 162.22 40.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.077 0.465 . . . . 0.0 111.367 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.839 HG13 ' HB3' ' A' ' 25' ' ' ALA . 44.9 t -124.3 126.12 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.628 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.631 ' O ' HG13 ' A' ' 84' ' ' VAL . 10.0 p -94.9 109.86 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.05 0.452 . . . . 0.0 111.394 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.676 HG12 ' H ' ' A' ' 87' ' ' ASP . 17.7 t -87.24 133.48 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.38 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.408 ' HB ' ' CB ' ' A' ' 28' ' ' SER . 3.4 mt -70.56 -9.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.676 ' H ' HG12 ' A' ' 85' ' ' VAL . 12.8 t70 -109.65 -44.38 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.413 . . . . 0.0 110.304 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.516 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.04 -176.84 19.99 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.563 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.894 ' O ' HG21 ' A' ' 115' ' ' THR . 15.3 tp -177.87 120.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.602 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -125.11 47.08 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 111.559 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.67 157.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.211 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.933 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.9 ttt -62.65 124.46 21.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.333 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.43 129.04 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.829 ' HA ' HG12 ' A' ' 100' ' ' VAL . 10.4 t-80 -57.09 144.44 34.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.88 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -124.92 -24.68 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.766 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.444 ' N ' ' CE1' ' A' ' 94' ' ' HIS . 3.7 ttpm? 179.73 135.99 0.11 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.72 -89.53 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.038 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -135.21 9.9 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.585 0.231 . . . . 0.0 111.196 179.624 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.565 HD22 HG12 ' A' ' 119' ' ' VAL . 13.0 mt -92.26 123.3 35.49 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 94' ' ' HIS . 30.8 m -109.87 177.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.382 0.611 . . . . 0.0 111.565 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.664 HD22 ' HB2' ' A' ' 117' ' ' CYS . 6.2 mt -124.52 123.44 40.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.197 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.933 HG22 ' HG3' ' A' ' 92' ' ' MET . 13.3 t -107.2 137.48 19.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.043 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -47.52 123.39 8.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.558 2.172 . . . . 0.0 111.661 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' A' ' 116' ' ' ILE . 7.1 tp -121.9 -51.86 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.708 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.522 HG22 ' HE2' ' A' ' 16' ' ' PHE . 2.8 m -152.51 123.69 7.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.089 0.471 . . . . 0.0 111.939 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 91.1 m -116.83 120.7 39.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.727 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 19.4 ttmm -144.37 131.29 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.683 HG22 ' HA ' ' A' ' 113' ' ' ARG . 16.0 t -96.99 134.97 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.0 t -138.38 121.37 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.084 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.91 6.39 85.56 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.81 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 99.41 26.31 8.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.61 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.603 ' C ' HG13 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -139.4 118.7 12.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.683 ' HA ' HG22 ' A' ' 108' ' ' VAL . 66.9 mtm180 -60.73 141.63 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.5 105.49 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.894 HG21 ' O ' ' A' ' 89' ' ' LEU . 92.5 m -107.73 144.21 35.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.118 0.485 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -119.45 134.12 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.033 178.474 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.664 ' HB2' HD22 ' A' ' 101' ' ' LEU . 92.2 m -128.87 139.98 51.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -177.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -73.73 140.96 46.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.684 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.655 HG21 ' CG1' ' A' ' 77' ' ' VAL . 7.3 t -89.71 112.12 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.931 0.396 . . . . 0.0 110.701 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.51 ' O ' HG22 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -134.8 141.98 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.382 -179.113 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.432 ' N ' HD23 ' A' ' 99' ' ' LEU . 0.5 OUTLIER -79.19 125.49 29.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.835 0.35 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.21 -52.22 20.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.58 ' HA ' HD23 ' A' ' 17' ' ' LEU . 27.9 m-85 -66.7 -30.02 70.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.713 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -30.28 54.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.185 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.63 -54.06 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.505 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 64' ' ' LEU . 1.3 pp -57.85 -36.38 72.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.774 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.41 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 14.9 p -54.85 -40.26 69.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.125 0.488 . . . . 0.0 109.936 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.13 -26.21 52.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.246 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.89 HG13 HG21 ' A' ' 84' ' ' VAL . 70.2 t -62.42 -47.12 94.51 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.061 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 67' ' ' LYS . 43.2 mt -59.58 -23.91 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.021 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.15 -29.2 61.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.671 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.57 ' SG ' HD11 ' A' ' 116' ' ' ILE . 55.9 m -49.6 162.64 0.15 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.884 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -107.28 16.26 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.502 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.473 ' HB3' HG22 ' A' ' 83' ' ' VAL . . . -176.65 145.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 111.309 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.975 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 21.2 t -134.26 122.29 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.834 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 35' ' ' ALA . 7.3 mmt-85 -150.91 -175.84 5.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.515 ' CB ' HD11 ' A' ' 86' ' ' ILE . 19.7 p -113.18 134.63 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.77 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -57.67 -43.88 85.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.677 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.1 mtt -56.58 -28.2 59.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.832 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -158.37 73.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.491 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -76.48 -18.12 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.392 -179.595 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -5.38 43.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.47 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.14 134.25 6.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.761 0.315 . . . . 0.0 111.416 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.447 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . . . -63.46 177.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.61 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -75.35 -68.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.789 0.328 . . . . 0.0 110.268 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER 173.4 171.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.416 178.441 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.73 -64.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.131 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -72.87 -34.5 66.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.913 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.555 ' H ' HG22 ' A' ' 37' ' ' THR . 20.3 mt-30 -57.31 -52.7 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.583 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 37' ' ' THR . 64.0 t -56.03 -37.55 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.1 83.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.121 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -56.95 -56.29 23.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.419 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 47' ' ' ILE . 44.8 t80 -57.39 -33.63 68.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.171 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -65.12 -34.87 79.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.486 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -73.77 -33.1 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 44' ' ' TYR . 57.5 mt -54.95 -60.19 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.832 HD22 HG11 ' A' ' 109' ' ' VAL . 1.6 mt -63.83 -45.53 89.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.427 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 t30 -59.57 -29.91 68.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.744 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -70.14 -28.19 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.331 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -70.89 -33.34 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.408 . . . . 0.0 110.9 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.875 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -62.67 -56.48 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.72 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.503 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -55.04 -20.66 9.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.952 -179.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 50' ' ' ALA . 5.1 m -101.76 22.29 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.213 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' CE2' ' A' ' 14' ' ' PHE . 10.4 t70 -105.84 169.84 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -98.59 27.62 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.029 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.4 93.53 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.13 81.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.99 -50.51 22.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -65.52 -38.31 89.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 t -60.77 -57.36 13.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -51.05 -35.65 35.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.239 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -59.88 -44.44 94.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.695 HD12 HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.15 -38.86 75.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 179.771 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.875 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.9 mtt -55.59 -37.42 68.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.134 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.36 -30.94 42.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.6 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.716 ' HB3' HD13 ' A' ' 21' ' ' LEU . 1.5 mtpp -75.82 -37.31 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.71 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 68' ' ' LEU . 4.2 pp -76.78 -16.96 59.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -29.17 57.19 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.599 ' OD2' HG11 ' A' ' 73' ' ' VAL . 11.5 t0 -101.46 16.93 24.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.975 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 54.1 t80 -55.53 137.53 48.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.194 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.39 39.86 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.599 HG11 ' OD2' ' A' ' 70' ' ' ASP . 11.2 p -97.44 152.18 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -69.46 122.65 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.07 139.55 13.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.89 116.82 11.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.884 HG22 ' HB3' ' A' ' 24' ' ' ARG . 22.2 t -89.46 138.02 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.426 ' O ' ' HB ' ' A' ' 119' ' ' VAL . 0.1 OUTLIER -128.87 -163.32 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.518 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.41 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -83.05 149.45 26.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.371 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.91 -31.07 7.61 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.52 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.79 -158.03 0.16 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.77 148.97 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.08 0.466 . . . . 0.0 111.491 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 101' ' ' LEU . 60.7 t -105.51 123.47 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.208 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.89 HG21 HG13 ' A' ' 20' ' ' VAL . 11.9 p -92.7 115.81 32.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.039 0.447 . . . . 0.0 111.135 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.641 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.3 t -93.64 139.01 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.515 HD11 ' CB ' ' A' ' 28' ' ' SER . 2.9 pt -81.82 -5.93 9.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.669 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -114.17 -44.49 3.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.921 0.391 . . . . 0.0 110.154 179.537 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.492 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.98 -174.39 21.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.787 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.708 HD23 ' SG ' ' A' ' 117' ' ' CYS . 10.8 tp -177.99 145.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 110.356 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -146.36 42.73 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.202 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.75 157.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.966 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.0 ttt -59.89 127.69 33.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.569 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.16 125.25 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.821 ' HA ' HG12 ' A' ' 100' ' ' VAL . 5.2 t60 -54.83 147.84 14.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.039 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -126.54 -27.37 3.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.19 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.2 OUTLIER 179.22 144.92 0.15 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.631 0.253 . . . . 0.0 111.098 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.8 t70 46.54 -88.35 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.351 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' LYS . 12.8 m-20 -139.81 13.96 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.761 0.315 . . . . 0.0 111.266 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.654 HD23 ' HA ' ' A' ' 121' ' ' LYS . 53.1 mt -96.36 123.7 40.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.197 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.821 HG12 ' HA ' ' A' ' 94' ' ' HIS . 27.6 m -110.17 176.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.306 0.574 . . . . 0.0 111.864 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 83' ' ' VAL . 14.2 mt -121.77 123.62 42.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.966 HG22 ' HG3' ' A' ' 92' ' ' MET . 14.6 t -105.34 136.22 19.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -47.78 123.44 8.4 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.505 2.137 . . . . 0.0 111.36 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.572 ' HB3' HG22 ' A' ' 116' ' ' ILE . 2.4 tp -120.61 -51.7 2.15 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.9 m -151.2 123.66 8.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.973 0.416 . . . . 0.0 112.018 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 93.9 m -115.86 122.39 45.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.64 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -149.64 132.88 16.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.724 HG22 ' HG2' ' A' ' 113' ' ' ARG . 25.9 t -84.91 125.51 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.832 HG11 HD22 ' A' ' 48' ' ' LEU . 25.1 t -116.78 122.05 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.24 -69.33 1.1 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.595 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -170.66 35.54 0.17 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.405 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -158.09 129.69 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.314 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.724 ' HG2' HG22 ' A' ' 108' ' ' VAL . 1.9 mtp180 -59.55 144.88 46.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 10.4 m -140.54 106.16 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.608 HG21 ' O ' ' A' ' 89' ' ' LEU . 91.5 m -105.31 143.28 33.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 0.0 111.099 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.572 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -116.46 137.86 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.708 ' SG ' HD23 ' A' ' 89' ' ' LEU . 71.3 m -133.39 139.18 46.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.79 140.38 45.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.774 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.498 HG21 ' CG1' ' A' ' 77' ' ' VAL . 3.9 t -90.69 110.77 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.83 0.348 . . . . 0.0 110.401 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.5 144.01 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 0.0 111.439 -179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.654 ' HA ' HD23 ' A' ' 99' ' ' LEU . 16.5 ttmm -74.75 134.07 41.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.009 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.772 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.54 -52.04 62.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 55' ' ' ASP . 53.9 m-85 -72.87 -26.92 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -74.05 -36.83 64.41 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.209 0.528 . . . . 0.0 109.711 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' O ' HG13 ' A' ' 20' ' ' VAL . 79.9 t80 -60.05 -36.66 77.8 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.139 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.881 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -65.43 -36.07 82.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.291 179.516 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.0 t -54.87 -35.16 63.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -77.58 -47.81 18.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.142 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 16' ' ' PHE . 2.7 m -58.84 -47.25 89.96 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.358 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 83.9 mt -61.29 -22.2 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.87 -24.69 48.44 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.737 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.0 p -47.02 170.22 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.819 0.342 . . . . 0.0 111.196 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.797 ' HB3' HG22 ' A' ' 77' ' ' VAL . 7.1 mpt_? -104.35 -28.71 11.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.044 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -142.98 140.64 31.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.185 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.864 HG11 ' CE2' ' A' ' 71' ' ' PHE . 22.0 t -111.56 107.26 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.745 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -136.55 178.77 6.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.9 p -118.88 152.79 35.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.745 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.632 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -71.39 -34.39 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.4 mtt -55.91 -28.06 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.978 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -159.15 54.71 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.745 HD23 ' HB3' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -55.92 -22.32 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.502 -179.79 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -70.1 -10.82 60.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.646 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.25 175.14 13.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.96 0.409 . . . . 0.0 111.401 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.72 177.32 6.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.793 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 37' ' ' THR . 4.1 mp -96.01 -66.65 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER 177.49 160.91 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.784 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -53.28 -44.44 68.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.634 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -74.99 -34.55 61.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.659 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 3.8 mm-40 -59.46 -57.79 11.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.996 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.8 m -58.87 -34.0 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.556 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . . . -65.21 -38.6 90.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.497 ' O ' HG13 ' A' ' 47' ' ' ILE . 9.2 tp-100 -57.17 -43.06 82.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 110.067 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.418 ' HD1' HD12 ' A' ' 47' ' ' ILE . 22.8 t80 -75.75 -46.89 28.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.736 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.556 ' HG2' ' HA ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -58.35 -26.8 63.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -76.76 -33.6 58.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.712 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 43' ' ' GLN . 9.7 mt -55.46 -60.86 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.881 ' HB3' HD21 ' A' ' 17' ' ' LEU . 4.7 mt -65.85 -44.16 86.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.443 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.435 ' HB2' HD22 ' A' ' 68' ' ' LEU . 1.7 t30 -56.97 -36.12 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.528 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 -28.02 64.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.692 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -33.34 75.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.578 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.767 HD22 HD12 ' A' ' 64' ' ' LEU . 3.7 mt -59.5 -53.94 52.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.419 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.429 ' H ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -46.48 -40.31 12.2 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.888 0.375 . . . . 0.0 111.269 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 m -93.75 22.38 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.667 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.408 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 38.1 t0 -88.19 155.82 19.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.642 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -71.43 -70.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.98 106.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.18 69.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.2 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.49 77.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.071 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -65.99 -36.32 82.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.8 p -56.22 -47.66 78.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -54.76 -38.83 67.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -62.0 -46.68 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.767 HD12 HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.08 -38.59 75.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.759 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.613 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.55 -38.72 75.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.53 -32.89 36.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -72.47 -35.89 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.581 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' ' 49' ' ' ASN . 2.1 tt -76.56 -22.08 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.995 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.54 48.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.252 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.552 ' OD2' HG11 ' A' ' 73' ' ' VAL . 0.8 OUTLIER -108.2 16.84 22.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.864 ' CE2' HG11 ' A' ' 26' ' ' VAL . 9.5 t80 -60.79 144.28 52.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.1 33.49 19.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.552 HG11 ' OD2' ' A' ' 70' ' ' ASP . 13.0 p -92.42 150.68 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 89.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.86 141.13 48.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.795 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.85 114.76 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 24' ' ' ARG . 48.7 t -81.46 151.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.677 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.06 160.26 40.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.269 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.57 148.56 45.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.136 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.78 -30.99 6.85 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -76.75 -158.0 0.1 Allowed 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.419 ' HG2' HD22 ' A' ' 104' ' ' LEU . 3.2 mpt_? -149.55 165.52 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 111.57 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.609 ' CG2' HD21 ' A' ' 101' ' ' LEU . 44.6 t -136.06 129.12 46.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.393 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.562 ' O ' HG13 ' A' ' 84' ' ' VAL . 10.7 p -95.84 116.08 36.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.0 111.53 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.0 t -89.15 110.02 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.469 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.9 mt -50.48 -23.96 2.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.775 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.632 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 28.9 t0 -96.57 -43.84 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.132 0.491 . . . . 0.0 109.86 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.491 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.09 -169.16 23.76 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.318 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.619 ' O ' HG21 ' A' ' 115' ' ' THR . 2.4 mt -177.92 146.34 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.599 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.22 33.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.253 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.37 156.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.048 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.902 ' HG3' HG22 ' A' ' 102' ' ' VAL . 1.7 ttt -52.72 126.1 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.754 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.35 124.7 20.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.829 ' HA ' HG12 ' A' ' 100' ' ' VAL . 29.7 t-80 -57.29 144.81 34.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.974 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -123.15 -29.77 3.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.246 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.53 ' HE3' HD12 ' A' ' 99' ' ' LEU . 23.8 pttt 179.35 149.02 0.26 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.727 0.299 . . . . 0.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.52 -90.03 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' LYS . 2.8 m-20 -140.8 12.5 2.27 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.581 0.229 . . . . 0.0 111.358 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.63 HD23 ' HA ' ' A' ' 121' ' ' LYS . 33.1 mt -95.66 123.81 39.39 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 94' ' ' HIS . 27.8 m -109.88 177.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.23 0.538 . . . . 0.0 111.634 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.644 HD22 ' HB2' ' A' ' 117' ' ' CYS . 15.6 mt -123.36 123.58 41.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.42 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.902 HG22 ' HG3' ' A' ' 92' ' ' MET . 16.4 t -105.32 137.25 19.21 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.49 123.52 8.15 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.69 2.26 . . . . 0.0 111.67 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.576 ' HB3' HG22 ' A' ' 116' ' ' ILE . 4.5 tp -123.74 -51.76 1.81 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.865 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.5 m -151.85 123.69 8.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 112.092 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.601 HG23 ' OG1' ' A' ' 115' ' ' THR . 14.6 m -118.98 118.17 30.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.8 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.424 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 13.9 ttmt -139.63 123.87 17.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.6 t -81.34 105.87 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.4 m -124.44 132.95 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.98 35.29 54.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.4 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 63.78 28.24 72.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.496 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 m -147.99 156.76 43.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 1.7 mtt180 -82.01 142.52 32.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 3.2 t -140.61 96.08 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.619 HG21 ' O ' ' A' ' 89' ' ' LEU . 89.0 m -103.17 144.71 30.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 111.069 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.576 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -121.36 137.92 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.644 ' HB2' HD22 ' A' ' 101' ' ' LEU . 71.4 m -133.78 141.64 47.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.469 ' HB2' HD13 ' A' ' 104' ' ' LEU . 31.3 t70 -72.45 139.93 47.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.773 178.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.71 113.7 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.857 0.361 . . . . 0.0 110.369 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.28 144.17 37.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.39 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.63 ' HA ' HD23 ' A' ' 99' ' ' LEU . 4.8 ttmt -74.44 147.53 41.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.88 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.795 0.331 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -52.16 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.756 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -65.1 -26.88 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -75.37 -38.17 60.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.202 0.525 . . . . 0.0 109.681 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.649 ' O ' HG13 ' A' ' 20' ' ' VAL . 27.7 t80 -62.85 -36.73 84.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.005 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.899 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.16 -39.87 94.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.234 179.4 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -54.64 -34.59 62.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -77.55 -47.37 19.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.998 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.676 ' HB ' HG21 ' A' ' 84' ' ' VAL . 2.2 m -61.81 -45.0 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 68' ' ' LEU . 57.7 mt -69.74 -20.22 63.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.734 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.96 -26.3 34.09 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.756 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 1.6 m -45.24 165.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -98.89 -9.45 24.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.863 -179.276 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.12 144.01 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.728 ' CG2' HG23 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -129.29 136.67 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 179.737 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.763 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -160.75 150.27 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.832 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.699 ' HB2' HD11 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -70.79 130.91 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 -179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.834 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -60.22 -34.18 73.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.499 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.4 mtt -59.48 -28.62 67.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.674 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -155.86 61.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.763 HD23 ' CB ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -57.93 -21.62 44.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.269 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 12.53 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.592 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.5 126.71 1.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.819 0.342 . . . . 0.0 111.413 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -85.79 177.47 7.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD12 ' H ' ' A' ' 36' ' ' LEU . 3.1 mp -84.63 -67.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.815 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.421 HG23 ' HB2' ' A' ' 40' ' ' GLN . 1.1 t 171.92 158.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.03 -51.76 9.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.239 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -34.43 76.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.04 -55.77 6.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.028 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.8 t -55.81 -38.78 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' HA ' ' NH1' ' A' ' 45' ' ' ARG . . . -65.4 -38.23 89.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.964 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -57.06 -49.68 75.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.524 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.498 ' HD1' HD12 ' A' ' 47' ' ' ILE . 19.1 t80 -65.13 -34.81 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.321 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' NH1' ' HA ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -65.34 -39.66 92.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.829 179.721 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.81 -33.33 73.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.785 HG21 ' HA3' ' A' ' 110' ' ' GLY . 62.2 mt -59.72 -58.75 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.899 ' HB3' HD21 ' A' ' 17' ' ' LEU . 11.0 mt -65.67 -42.66 91.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.487 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.462 ' HB2' HD22 ' A' ' 68' ' ' LEU . 2.2 t30 -56.62 -31.92 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.837 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -73.9 -27.69 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.057 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -33.35 75.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.849 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -64.09 -56.59 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.809 -179.262 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -55.22 -58.17 8.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -179.561 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 50' ' ' ALA . 3.5 m -49.56 -27.05 2.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.5 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -55.02 169.61 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -105.48 27.36 8.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.184 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.41 85.71 2.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.028 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.08 -30.37 69.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.06 -47.97 40.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -35.33 60.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.185 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.6 p -59.15 -52.43 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.18 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 5.1 ptt-85 -50.98 -33.71 25.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.197 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 62' ' ' ARG . 3.2 mtp180 -62.99 -46.78 86.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.785 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.849 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.29 -35.46 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.745 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.823 ' HG2' HD12 ' A' ' 52' ' ' LEU . 1.8 mtt -56.93 -30.52 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.057 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.56 -35.37 34.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.825 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -71.11 -34.21 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.618 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.491 ' HA ' HD22 ' A' ' 21' ' ' LEU . 8.4 tt -76.92 -22.51 53.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.837 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.24 -26.01 37.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.738 ' CG ' HG12 ' A' ' 73' ' ' VAL . 1.2 t0 -111.58 -34.74 5.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 11.2 t80 39.55 -90.36 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.006 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.708 ' HB2' HG13 ' A' ' 26' ' ' VAL . . . -81.2 71.11 8.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.841 0.353 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.738 HG12 ' CG ' ' A' ' 70' ' ' ASP . 18.1 m -68.94 139.73 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.304 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -81.47 89.88 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -157.35 160.01 38.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.24 139.83 37.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.556 ' CG1' HG21 ' A' ' 119' ' ' VAL . 19.8 t -81.55 160.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.381 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.485 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -142.58 160.67 39.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.446 -179.235 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.469 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -61.43 145.31 52.13 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.183 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.13 7.04 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.423 ' HB3' ' HD3' ' A' ' 24' ' ' ARG . 24.3 m-20 -80.86 -158.14 0.19 Allowed 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 0.7 OUTLIER -154.76 157.65 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.165 0.507 . . . . 0.0 111.47 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.4 t -120.15 118.49 57.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.295 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.713 ' CG1' ' HB ' ' A' ' 26' ' ' VAL . 6.3 p -93.08 113.87 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 111.036 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.834 HG11 ' HB2' ' A' ' 29' ' ' ALA . 10.8 t -93.32 115.62 32.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.29 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.728 HG23 ' CG2' ' A' ' 26' ' ' VAL . 8.8 pt -55.32 -21.26 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.037 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.455 ' H ' HG12 ' A' ' 85' ' ' VAL . 2.7 t0 -97.58 -43.98 6.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 109.872 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.497 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.69 -173.26 21.88 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.088 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.829 ' O ' HG21 ' A' ' 115' ' ' THR . 2.7 mt -177.89 106.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -114.8 43.59 1.93 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.977 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.19 155.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.538 ' HG3' HG22 ' A' ' 102' ' ' VAL . 32.0 ttm -59.67 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.64 124.32 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 86.6 t60 -65.31 152.55 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -121.89 -34.94 3.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.926 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.77 153.58 0.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.647 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.9 t0 44.59 -87.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.122 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 96' ' ' LYS . 9.7 m-20 -141.86 13.19 2.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.466 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 99' ' ' LEU . 24.1 mt -88.33 119.79 29.09 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -114.18 141.25 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.428 -179.396 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 117' ' ' CYS . 22.4 mt -98.84 129.96 45.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.105 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.538 HG22 ' HG3' ' A' ' 92' ' ' MET . 24.5 t -115.71 138.25 23.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 102' ' ' VAL . 5.4 Cg_endo -47.68 123.57 8.45 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.737 2.291 . . . . 0.0 111.973 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.738 HD13 ' HB2' ' A' ' 118' ' ' ASP . 2.1 tp -119.97 -51.74 2.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.792 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.8 m -150.96 123.65 8.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.95 0.405 . . . . 0.0 111.941 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.715 HG23 ' OG1' ' A' ' 115' ' ' THR . 16.9 m -119.57 117.83 29.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.84 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 8.0 mttp -135.89 144.17 45.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.548 HG22 ' HG2' ' A' ' 113' ' ' ARG . 31.8 t -99.36 123.43 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.02 114.71 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.785 ' HA3' HG21 ' A' ' 47' ' ' ILE . . . 77.24 32.3 48.65 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.79 27.76 70.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.7 m -140.88 137.64 33.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.548 ' HG2' HG22 ' A' ' 108' ' ' VAL . 4.0 mtm180 -80.53 126.95 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -118.38 92.37 3.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.834 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.829 HG21 ' O ' ' A' ' 89' ' ' LEU . 90.8 m -96.89 142.98 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 111.056 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.543 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -123.77 137.65 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.435 178.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 67.4 m -129.91 141.15 50.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.026 0.441 . . . . 0.0 112.142 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.738 ' HB2' HD13 ' A' ' 104' ' ' LEU . 24.9 t70 -74.78 138.51 42.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.556 HG21 ' CG1' ' A' ' 77' ' ' VAL . 5.4 t -87.97 102.97 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.984 0.421 . . . . 0.0 110.647 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.13 140.3 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.129 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -74.71 119.1 18.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.78 0.324 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.29 -44.77 95.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CD1' HD21 ' A' ' 17' ' ' LEU . 2.5 m-85 -72.87 -26.73 61.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -28.66 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 109.999 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.818 ' O ' HG13 ' A' ' 20' ' ' VAL . 18.0 t80 -73.87 -54.29 8.31 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.525 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.843 ' O ' HG22 ' A' ' 20' ' ' VAL . 1.2 pp -63.7 -36.48 84.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.993 0.425 . . . . 0.0 110.229 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.545 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.8 t -64.38 -34.01 77.17 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -77.44 -26.34 51.44 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.82 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 17' ' ' LEU . 3.7 m -73.15 -32.95 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.049 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 67' ' ' LYS . 11.3 mt -66.72 -22.5 66.06 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.19 -33.01 71.2 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.084 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.8 m -45.49 169.69 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.53 -46.19 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.35 140.24 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.955 0.407 . . . . 0.0 111.259 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 21.7 t -120.48 107.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.922 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -138.94 175.75 9.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.08 150.78 28.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.683 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -67.46 -46.86 71.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.728 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.2 mmm -55.52 -26.14 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.726 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 31' ' ' ASN . 8.0 p-10 -155.71 71.95 0.77 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.51 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.922 HD23 ' HB3' ' A' ' 27' ' ' ARG . 1.1 mt -68.79 -18.9 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.47 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -91.42 12.51 20.38 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.1 134.96 0.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 111.447 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.83 177.56 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.774 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.58 HD12 ' H ' ' A' ' 36' ' ' LEU . 4.7 mp -77.15 -67.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.613 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.758 HG21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER 175.71 166.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.733 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.8 m -44.62 -68.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.868 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.758 ' CZ ' HG21 ' A' ' 37' ' ' THR . 41.4 p90 -53.62 -34.43 58.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.602 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.738 ' HB2' HG23 ' A' ' 37' ' ' THR . 0.9 OUTLIER -66.16 -58.63 5.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 111.475 -179.798 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 37' ' ' THR . 42.3 t -55.43 -41.32 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.61 92.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.704 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -53.45 57.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.157 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.464 ' HA ' HD12 ' A' ' 47' ' ' ILE . 7.4 t80 -59.32 -35.38 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.221 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HG3' ' CD2' ' A' ' 71' ' ' PHE . 15.8 mtp180 -63.5 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.88 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.11 -29.05 48.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 44' ' ' TYR . 57.6 mt -58.6 -61.16 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.64 ' N ' HD23 ' A' ' 48' ' ' LEU . 1.9 mt -65.74 -49.83 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.751 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.417 ' HB2' HD13 ' A' ' 68' ' ' LEU . 3.1 t30 -53.43 -29.99 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -73.84 -27.88 61.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -66.54 -33.04 74.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 179.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.885 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -65.95 -56.73 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.018 -178.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -53.32 -55.11 27.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 111.675 -179.193 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.1 m -49.22 -26.52 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.62 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.91 171.2 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -97.18 -32.82 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.99 89.12 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.64 78.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.26 81.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.182 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -75.97 -37.27 58.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.082 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.7 t -62.42 -49.79 74.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.353 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.93 -33.75 25.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.303 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -69.16 -44.25 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.812 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.3 -42.61 71.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.885 ' HG2' HD12 ' A' ' 52' ' ' LEU . 1.6 mtt -54.18 -33.58 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.59 -31.0 47.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.367 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.33 -32.15 66.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.385 179.567 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.417 HD13 ' HB2' ' A' ' 49' ' ' ASN . 7.8 tt -76.84 -23.05 52.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.88 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.17 -23.85 23.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.258 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -105.5 16.79 24.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.223 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.461 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 34.3 t80 -58.21 136.37 57.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.832 0.349 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.02 44.37 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 p -97.51 153.14 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -79.9 118.89 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -161.96 154.55 19.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -83.45 130.23 35.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.456 HG21 ' CZ ' ' A' ' 95' ' ' PHE . 3.2 t -81.64 162.13 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.429 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -151.25 163.12 39.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.392 -179.158 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.88 146.35 53.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.306 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.86 -31.03 6.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.349 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -77.88 -158.16 0.12 Allowed 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.825 ' HG2' HD22 ' A' ' 104' ' ' LEU . 1.7 mpt_? -154.93 151.79 28.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.059 0.457 . . . . 0.0 111.624 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG23 HD21 ' A' ' 101' ' ' LEU . 87.9 t -116.13 123.95 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.241 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 84' ' ' VAL . 6.3 p -92.84 120.91 42.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.946 0.403 . . . . 0.0 111.365 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.631 HG11 ' HB2' ' A' ' 29' ' ' ALA . 5.7 t -101.09 110.73 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.506 HD12 HD11 ' A' ' 36' ' ' LEU . 4.2 mt -45.76 -27.76 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.813 -178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.683 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -94.51 -43.74 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.62 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.05 -172.16 22.46 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.228 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.502 HD23 ' SG ' ' A' ' 117' ' ' CYS . 22.1 tp -177.84 106.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.409 . . . . 0.0 111.098 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.476 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 14.0 m-20 -117.94 53.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.611 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.409 ' HD3' ' O ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -176.61 145.18 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -179.452 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.944 ' HG3' HG22 ' A' ' 102' ' ' VAL . 4.7 ttt -59.16 120.29 8.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.434 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -136.11 128.47 30.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.858 ' HA ' HG12 ' A' ' 100' ' ' VAL . 31.3 t-80 -59.87 147.92 36.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.776 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.456 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 66.1 t80 -123.47 -31.32 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.355 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.26 153.88 0.44 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.745 0.307 . . . . 0.0 111.165 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 46.65 -88.83 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.364 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 96' ' ' LYS . 58.3 m-20 -146.77 20.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.939 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.817 HD23 ' HA ' ' A' ' 121' ' ' LYS . 64.0 mt -104.03 125.69 50.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.279 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.858 HG12 ' HA ' ' A' ' 94' ' ' HIS . 24.8 m -110.26 173.15 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.444 0.64 . . . . 0.0 111.726 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.512 HD21 HG23 ' A' ' 83' ' ' VAL . 12.5 mt -116.64 123.38 47.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.107 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.944 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.6 t -108.84 138.71 20.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.794 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.476 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 4.6 Cg_endo -46.95 123.4 7.32 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.493 2.128 . . . . 0.0 111.634 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.825 HD22 ' HG2' ' A' ' 82' ' ' ARG . 7.9 tp -118.11 -47.18 2.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.492 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 115' ' ' THR . 23.3 m -163.6 129.44 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.032 0.444 . . . . 0.0 111.586 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.686 HG23 ' OG1' ' A' ' 115' ' ' THR . 87.0 m -121.49 115.97 23.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.812 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 11.3 mttm -138.14 145.69 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.6 HG22 ' HA ' ' A' ' 113' ' ' ARG . 20.9 t -111.71 130.37 65.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.6 t -127.89 117.72 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.41 -57.83 4.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 171.41 43.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.558 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.57 ' O ' HG13 ' A' ' 108' ' ' VAL . 21.3 m -153.62 135.55 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.6 ' HA ' HG22 ' A' ' 108' ' ' VAL . 7.8 mtm180 -77.58 109.41 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.989 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 23.1 t -107.42 103.51 12.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.686 ' OG1' HG23 ' A' ' 106' ' ' THR . 75.9 m -113.38 152.64 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 110.888 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.459 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -129.84 142.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.807 178.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.502 ' SG ' HD23 ' A' ' 89' ' ' LEU . 86.0 m -129.3 139.41 51.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.187 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.611 ' HB2' HD13 ' A' ' 104' ' ' LEU . 4.3 t0 -71.58 138.45 48.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.153 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.45 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 2.7 t -90.35 110.85 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.19 147.62 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.52 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.817 ' HA ' HD23 ' A' ' 99' ' ' LEU . 6.5 ttmt -74.62 152.41 39.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.024 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.974 -179.899 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.44 93.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 11.5 m-85 -71.56 -26.96 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.75 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -77.66 -29.4 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.344 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.537 ' HE2' HG22 ' A' ' 105' ' ' THR . 48.3 t80 -73.33 -54.29 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.502 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' A' ' 14' ' ' PHE . 1.8 pp -62.22 -36.23 81.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.368 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -59.16 -45.36 91.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.996 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' ASP . 76.8 m-20 -77.02 -14.37 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.623 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.063 HG13 HG21 ' A' ' 84' ' ' VAL . 4.5 t -73.98 -46.58 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.842 HD22 ' HA ' ' A' ' 68' ' ' LEU . 38.4 mt -57.93 -25.61 61.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.921 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 2.4 m-20 -61.89 -28.31 69.42 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.283 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 13.8 p -50.57 -179.06 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.139 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.786 ' HB2' HG22 ' A' ' 77' ' ' VAL . 1.4 mmt180 -109.38 -45.61 3.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.574 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.17 148.27 37.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 111.582 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.611 ' CG1' ' HB2' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -109.76 132.2 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.524 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.739 ' CZ ' ' HB2' ' A' ' 35' ' ' ALA . 6.2 mmt-85 -156.9 142.05 17.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.808 ' HB2' HD11 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -71.16 133.9 46.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.73 179.731 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.881 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -60.81 -41.69 96.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 110.345 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.3 mtt -54.82 -25.64 29.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.395 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.702 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 18.5 m-80 -147.74 58.53 1.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.228 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -26.15 5.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.529 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -101.64 12.62 36.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.612 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.702 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . . . -148.2 134.73 19.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 111.349 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.739 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -90.77 177.51 6.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.797 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.73 HD11 ' CD1' ' A' ' 86' ' ' ILE . 3.6 mp -95.39 -66.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 178.55 160.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.798 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -44.31 70.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.615 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -34.48 62.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.453 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 1.5 mp0 -59.91 -56.72 18.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.018 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.2 -34.05 52.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.47 84.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -57.12 -56.42 21.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.542 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.543 ' CE2' HG22 ' A' ' 86' ' ' ILE . 2.9 t80 -60.18 -34.95 74.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.493 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.613 ' CG ' HD21 ' A' ' 68' ' ' LEU . 2.9 ttp180 -61.56 -36.42 80.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.797 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -74.13 -28.97 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 44' ' ' TYR . 46.0 mt -56.73 -61.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.829 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.728 HD22 HG11 ' A' ' 109' ' ' VAL . 2.3 mt -64.79 -35.81 82.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.048 0.452 . . . . 0.0 110.01 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.422 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 3.2 t30 -60.93 -44.18 97.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.493 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -59.07 -28.17 66.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.965 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -69.16 -32.95 72.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.113 0.482 . . . . 0.0 110.406 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 65' ' ' MET . 4.1 mt -64.85 -54.07 36.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.074 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -47.87 -26.37 1.66 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.38 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -100.26 22.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.872 0.367 . . . . 0.0 111.483 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -92.88 171.1 9.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.658 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -48.54 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.55 101.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.35 69.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.57 78.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.16 -36.7 61.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -57.27 -33.34 67.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -39.57 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -43.87 93.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.61 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -70.1 -41.36 74.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.592 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -59.33 -38.8 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.957 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.55 -35.84 33.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.388 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.525 ' CB ' HD13 ' A' ' 21' ' ' LEU . 29.7 mtpt -68.35 -30.44 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.28 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.842 ' HA ' HD22 ' A' ' 21' ' ' LEU . 4.5 tt -76.85 -27.08 54.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.563 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.15 -26.41 50.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.709 ' O ' HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -105.53 17.36 23.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.081 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.547 ' CD2' HG11 ' A' ' 26' ' ' VAL . 30.4 t80 -40.63 -70.56 0.1 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.894 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.611 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . . . -99.1 28.75 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 70' ' ' ASP . 14.6 p -58.99 150.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -76.18 89.81 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.659 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -133.95 160.11 38.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.49 139.14 30.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.979 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.786 HG22 ' HB2' ' A' ' 24' ' ' ARG . 16.9 t -103.43 140.36 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -140.03 -161.17 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.69 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.488 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -82.95 149.72 26.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.288 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.56 -31.17 7.77 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.422 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.427 ' OD1' HG21 ' A' ' 119' ' ' VAL . 2.3 p30 -90.49 -163.34 1.01 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -151.37 161.09 43.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.138 0.495 . . . . 0.0 111.781 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.545 HG23 HD21 ' A' ' 101' ' ' LEU . 97.6 t -113.48 125.92 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.411 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.063 HG21 HG13 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -92.65 124.38 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.322 179.639 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.1 t -106.94 125.39 63.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.054 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.808 HD11 ' HB2' ' A' ' 28' ' ' SER . 39.9 pt -69.99 -9.73 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.754 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.54 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -109.27 -44.79 3.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.96 0.409 . . . . 0.0 110.004 179.266 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.526 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.71 -171.21 22.77 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.55 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.758 HD23 ' SG ' ' A' ' 117' ' ' CYS . 9.8 tp -177.98 106.64 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.62 45.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.235 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? 176.49 159.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.03 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 145.02 47.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.75 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.17 122.93 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.802 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.417 ' CE1' ' CA ' ' A' ' 96' ' ' LYS . 34.5 t-80 -64.15 152.46 40.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CD2' ' HD3' ' A' ' 96' ' ' LYS . 29.6 t80 -125.7 -33.45 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.568 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.01 153.02 0.38 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.657 0.265 . . . . 0.0 111.192 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 46.16 -88.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.274 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 96' ' ' LYS . 58.5 m-20 -144.46 17.5 1.68 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.644 0.259 . . . . 0.0 111.275 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.608 HD22 HG12 ' A' ' 119' ' ' VAL . 15.2 mt -90.13 119.83 30.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 0.0 110.311 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.28 137.82 42.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.371 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.545 HD21 HG23 ' A' ' 83' ' ' VAL . 19.4 mt -93.93 123.79 37.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.229 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.0 t -109.09 137.27 20.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.76 123.41 8.33 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.575 2.184 . . . . 0.0 111.768 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.588 HD13 ' HB2' ' A' ' 118' ' ' ASP . 5.4 tp -113.73 -50.61 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.304 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.537 HG22 ' HE2' ' A' ' 16' ' ' PHE . 20.5 m -160.9 131.76 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 111.642 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 90.6 m -119.7 120.18 35.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.464 ' CB ' ' CE2' ' A' ' 16' ' ' PHE . 4.5 tttm -142.96 138.83 30.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.029 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.43 HG13 ' C ' ' A' ' 112' ' ' SER . 15.7 t -97.2 140.46 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.728 HG11 HD22 ' A' ' 48' ' ' LEU . 21.6 t -137.15 123.89 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.37 -62.46 2.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 177.95 39.48 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.43 ' C ' HG13 ' A' ' 108' ' ' VAL . 1.4 m -156.95 138.74 14.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.78 145.21 48.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 9.0 m -140.49 110.27 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.078 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.664 HG21 ' O ' ' A' ' 89' ' ' LEU . 87.9 m -115.01 141.09 48.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 111.198 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.815 HG23 HG23 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -117.33 142.44 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.758 ' SG ' HD23 ' A' ' 89' ' ' LEU . 66.2 m -134.01 135.82 43.66 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.588 ' HB2' HD13 ' A' ' 104' ' ' LEU . 17.5 t70 -71.26 141.43 50.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.697 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.608 HG12 HD22 ' A' ' 99' ' ' LEU . 10.7 t -91.18 103.03 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.008 0.432 . . . . 0.0 110.871 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -123.6 139.38 50.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.95 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -74.54 114.96 13.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.009 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.661 0.267 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.46 -52.85 63.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 110.799 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CE2' ' OD1' ' A' ' 55' ' ' ASP . 4.3 m-85 -73.3 -26.71 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.79 -35.49 70.02 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.581 ' O ' HG13 ' A' ' 20' ' ' VAL . 36.4 t80 -62.33 -38.78 90.79 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.912 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.647 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -62.69 -33.58 75.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.271 179.479 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -35.7 72.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.6 -45.27 25.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.452 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 16' ' ' PHE . 2.7 m -57.6 -44.3 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.08 0 CA-C-O 121.023 0.439 . . . . 0.0 110.745 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.758 HD21 HD12 ' A' ' 68' ' ' LEU . 2.7 mt -70.62 -20.41 62.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.058 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -90.04 -18.9 25.09 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.085 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.558 ' SG ' HD11 ' A' ' 116' ' ' ILE . 1.6 m -43.98 162.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.703 0.287 . . . . 0.0 111.221 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HG2' ' HB3' ' A' ' 81' ' ' ASP . 16.8 mmt180 -99.76 9.08 43.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.813 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.27 140.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 111.523 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.899 HG11 ' CE2' ' A' ' 71' ' ' PHE . 28.6 t -126.71 107.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.6 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.925 ' CZ ' ' HB2' ' A' ' 35' ' ' ALA . 1.2 mmp_? -142.03 -176.51 4.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.147 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.712 ' HB2' HD11 ' A' ' 86' ' ' ILE . 1.2 t -113.24 140.84 47.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.713 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -60.31 -45.75 92.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.809 0.337 . . . . 0.0 110.755 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -31.06 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.623 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -140.11 63.76 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.571 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.826 HD12 ' HB3' ' A' ' 27' ' ' ARG . 8.3 tp -76.94 -18.18 58.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.107 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.99 -26.44 60.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.933 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.15 144.3 24.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.208 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.925 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -69.16 177.41 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.648 HD22 HE21 ' A' ' 40' ' ' GLN . 2.7 mp -88.55 -66.85 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.455 HG23 ' HB2' ' A' ' 40' ' ' GLN . 0.1 OUTLIER 176.25 153.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.642 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -46.0 -41.88 12.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.69 -34.24 69.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.698 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.648 HE21 HD22 ' A' ' 36' ' ' LEU . 10.7 mm100 -68.99 -58.31 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.593 HG12 ' HE ' ' A' ' 45' ' ' ARG . 33.0 t -55.82 -36.59 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.2 95.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.27 -44.75 84.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.283 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.516 ' HA ' HD12 ' A' ' 47' ' ' ILE . 39.9 t80 -67.16 -36.09 81.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.084 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.593 ' HE ' HG12 ' A' ' 41' ' ' VAL . 8.5 mtm180 -63.7 -43.07 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.577 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 2.3 t-20 -57.59 -32.86 67.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 44' ' ' TYR . 61.2 mt -61.34 -60.94 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.7 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.647 ' HB3' HD21 ' A' ' 17' ' ' LEU . 3.0 mt -63.39 -50.05 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.686 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 4.0 t30 -57.16 -29.8 63.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.575 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -69.58 -28.19 65.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.28 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.485 ' O ' HG23 ' A' ' 54' ' ' VAL . 16.9 t -70.52 -33.22 70.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.909 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -66.78 -56.53 10.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.953 -179.1 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.497 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -53.19 -23.14 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.002 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 50' ' ' ALA . 3.7 m -95.47 22.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.742 0.306 . . . . 0.0 111.361 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' OD1' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -104.31 137.78 41.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.804 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -59.32 -39.93 84.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.32 89.35 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.69 84.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 -46.73 89.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.182 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -54.52 41.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -56.29 -36.89 69.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -36.72 67.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.684 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.695 ' HG2' HD23 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -68.96 -37.15 78.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.7 0.286 . . . . 0.0 111.163 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.909 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -70.07 -43.41 71.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.029 0.442 . . . . 0.0 110.442 179.578 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.887 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.2 mtt -55.45 -31.65 62.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.094 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.36 -33.79 42.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.245 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -70.99 -30.76 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.108 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.758 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -75.41 -25.15 57.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.554 179.419 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.1 -22.88 30.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.37 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.564 ' O ' HG23 ' A' ' 73' ' ' VAL . 21.0 t70 -107.24 17.08 23.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.499 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.899 ' CE2' HG11 ' A' ' 26' ' ' VAL . 3.8 t80 -67.43 138.66 56.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 111.082 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.585 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 59.86 42.19 16.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.6 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 70' ' ' ASP . 57.3 t -107.12 154.8 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.91 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.436 ' N ' HG12 ' A' ' 73' ' ' VAL . 4.2 mt-10 -70.6 89.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.31 139.54 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.661 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.27 138.76 54.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 78' ' ' THR . 42.8 t -98.74 158.62 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.553 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.488 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -151.51 158.33 43.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.281 -179.221 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.19 146.47 50.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.076 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.92 -31.05 7.25 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.431 ' HB3' ' HG2' ' A' ' 24' ' ' ARG . 5.4 m-20 -76.02 -158.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -156.62 156.24 33.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.156 0.503 . . . . 0.0 111.928 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.577 HG23 HD21 ' A' ' 101' ' ' LEU . 93.0 t -118.34 127.13 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.435 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 84' ' ' VAL . 14.6 p -94.12 114.28 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.886 0.374 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 29' ' ' ALA . 4.1 t -94.13 114.85 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.989 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.712 HD11 ' HB2' ' A' ' 28' ' ' SER . 35.2 pt -55.27 -24.22 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.844 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.61 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 2.7 t70 -93.59 -44.32 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.553 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.36 -168.36 23.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.923 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.825 HD23 ' SG ' ' A' ' 117' ' ' CYS . 9.4 tp -178.12 154.9 0.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.664 0.269 . . . . 0.0 110.342 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -159.82 38.13 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.661 0.267 . . . . 0.0 111.493 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.0 155.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 111.128 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.922 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -57.52 115.29 2.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.619 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.15 123.64 40.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.002 0.429 . . . . 0.0 111.647 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.81 ' HA ' HG12 ' A' ' 100' ' ' VAL . 12.4 t-80 -58.42 145.49 38.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -124.44 -26.43 3.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.593 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' ASP . 14.1 pttt 179.68 136.85 0.11 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.669 0.271 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.11 -88.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' LYS . 42.8 m-20 -132.64 -10.34 3.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 99' ' ' LEU . 13.3 mt -74.64 119.55 18.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' ' 94' ' ' HIS . 30.9 m -110.99 -178.63 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 111.571 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.577 HD21 HG23 ' A' ' 83' ' ' VAL . 18.6 mt -123.44 123.44 40.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.132 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.922 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.3 t -105.01 136.78 19.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.32 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.402 ' HD2' HG13 ' A' ' 102' ' ' VAL . 6.3 Cg_endo -48.38 123.66 9.47 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.563 2.175 . . . . 0.0 111.523 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 116' ' ' ILE . 12.2 tp -122.09 -52.01 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 115' ' ' THR . 25.3 m -156.2 126.93 6.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.963 0.411 . . . . 0.0 112.096 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 94.6 m -118.41 118.65 32.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.698 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.429 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 22.0 mttm -131.6 128.03 38.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.531 HG22 ' HG2' ' A' ' 113' ' ' ARG . 21.5 t -102.87 139.89 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.66 126.1 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.43 -80.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.378 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -155.8 28.51 0.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.71 141.27 24.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.583 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 13.4 mtm180 -85.28 160.48 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.2 t -140.77 90.35 2.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.653 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.553 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 89.9 m -96.57 142.83 28.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.082 0.467 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.609 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -124.94 135.26 64.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.17 179.078 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.825 ' SG ' HD23 ' A' ' 89' ' ' LEU . 74.1 m -132.57 135.44 45.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -70.3 142.0 52.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.815 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.408 HG22 HD21 ' A' ' 101' ' ' LEU . 2.7 t -91.02 116.6 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.724 0.297 . . . . 0.0 110.354 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.16 150.36 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.417 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.28 138.46 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.032 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.031 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.831 0.348 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -59.1 -50.16 75.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.818 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.419 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 20.1 m-85 -72.79 -27.63 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.866 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.26 -30.02 57.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.125 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.695 ' O ' HG23 ' A' ' 20' ' ' VAL . 44.7 t80 -70.55 -54.05 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.268 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 14' ' ' PHE . 1.9 pp -67.46 -36.53 81.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.639 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -59.77 -39.98 86.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.102 0.477 . . . . 0.0 109.955 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -22.8 51.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.316 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.837 HG13 HG21 ' A' ' 84' ' ' VAL . 38.8 t -66.51 -47.51 83.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.84 0.352 . . . . 0.0 110.106 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.531 HD22 ' C ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -62.47 -19.62 63.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.162 178.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -79.34 -23.56 43.33 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.202 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.577 ' HG ' HD11 ' A' ' 116' ' ' ILE . 1.3 m -45.75 160.36 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.494 ' HB3' HG22 ' A' ' 77' ' ' VAL . 8.4 mpt_? -89.88 2.89 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.862 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -179.1 141.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.853 0.359 . . . . 0.0 111.527 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.4 t -118.63 107.47 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.684 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.657 ' NH1' ' HB2' ' A' ' 35' ' ' ALA . 8.8 mmt-85 -141.23 -175.73 4.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.049 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.704 ' HB2' HD11 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -112.08 145.21 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.568 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.839 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -68.24 -39.31 82.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.963 0.411 . . . . 0.0 110.336 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -28.3 69.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.491 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -156.64 72.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.38 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -76.59 -18.1 58.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.493 -179.493 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.32 12.48 16.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.6 140.44 4.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 111.443 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.657 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . . . -85.45 177.52 7.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.552 HD22 ' OE1' ' A' ' 40' ' ' GLN . 3.6 mp -97.4 -67.19 0.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.072 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.427 HG23 ' HB2' ' A' ' 40' ' ' GLN . 0.6 OUTLIER 173.11 160.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.375 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -47.44 -51.33 20.51 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.282 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.42 -34.51 78.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.552 ' OE1' HD22 ' A' ' 36' ' ' LEU . 7.0 mm-40 -67.61 -58.33 4.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.29 -35.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.82 92.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.72 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -57.16 -48.88 77.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.653 ' HA ' HD12 ' A' ' 47' ' ' ILE . 8.3 t80 -62.7 -33.57 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.169 179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.605 ' HB3' HD21 ' A' ' 68' ' ' LEU . 31.6 mtm180 -66.04 -45.74 80.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.736 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -57.6 -35.19 70.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 44' ' ' TYR . 67.3 mt -58.1 -60.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.632 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 48' ' ' LEU . 5.5 mt -66.3 -38.49 87.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.328 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.405 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 2.9 t30 -58.93 -50.21 74.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.155 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -54.09 -27.6 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.764 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -32.5 68.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.053 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.742 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -75.02 -23.48 58.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.196 0.522 . . . . 0.0 110.835 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -44.46 -62.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.261 -179.578 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.34 -23.04 24.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.946 -177.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -47.44 107.34 0.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.163 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -66.33 -50.25 64.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.986 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 99.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.56 72.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.63 89.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -42.02 48.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.0 p -58.64 -56.26 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.328 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -52.34 -33.84 44.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.272 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -62.77 -52.71 62.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.634 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -70.2 -45.51 66.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.449 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.742 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -54.22 -30.49 50.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.97 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.42 -34.98 35.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.024 0.44 . . . . 0.0 110.311 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.531 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -67.04 -30.87 71.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.215 179.313 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' A' ' 45' ' ' ARG . 4.8 tt -76.86 -28.31 55.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.648 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.29 64.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.732 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.5 t0 -108.73 17.06 22.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.883 ' CE2' HG11 ' A' ' 26' ' ' VAL . 23.7 t80 -54.28 148.58 11.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 111.281 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.84 56.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.428 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -107.19 155.69 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 179.704 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.79 93.79 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -121.58 139.65 53.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.76 121.16 20.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.791 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.51 ' CG1' HG21 ' A' ' 119' ' ' VAL . 21.7 t -81.43 154.01 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.13 164.99 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.342 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.415 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -63.88 146.97 53.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.079 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.91 -31.15 6.79 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.407 ' HB3' ' HD3' ' A' ' 24' ' ' ARG . 10.7 m-20 -83.98 -157.88 0.29 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.92 157.74 35.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.121 0.486 . . . . 0.0 111.77 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.478 ' CG2' HD21 ' A' ' 101' ' ' LEU . 61.9 t -121.0 125.41 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.425 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.837 HG21 HG13 ' A' ' 20' ' ' VAL . 12.9 p -92.58 114.19 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.05 0.452 . . . . 0.0 111.209 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.839 HG11 ' HB2' ' A' ' 29' ' ' ALA . 5.6 t -93.5 115.89 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.016 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.704 HD11 ' HB2' ' A' ' 28' ' ' SER . 45.6 pt -58.96 -18.7 13.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.895 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 18.4 t0 -97.61 -44.11 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.174 0.511 . . . . 0.0 109.632 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.538 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.69 -176.1 20.37 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.398 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.849 ' O ' HG21 ' A' ' 115' ' ' THR . 2.9 mt -177.97 107.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.755 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 1.6 m-20 -116.65 43.43 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.376 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 154.02 1.01 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.93 0.395 . . . . 0.0 111.463 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.788 ' SD ' HG21 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -59.28 123.05 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.403 179.4 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -136.9 125.78 24.16 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.849 ' HA ' HG12 ' A' ' 100' ' ' VAL . 85.8 t60 -59.84 152.33 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.29 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -129.26 -30.78 2.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.533 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.88 155.71 0.45 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.755 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 44.0 -87.52 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.54 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -147.21 22.57 1.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 179.411 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.522 HD23 ' CA ' ' A' ' 121' ' ' LYS . 39.5 mt -107.53 129.99 54.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.421 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.849 HG12 ' HA ' ' A' ' 94' ' ' HIS . 27.7 m -114.34 177.95 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.373 0.606 . . . . 0.0 111.861 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.478 HD21 ' CG2' ' A' ' 83' ' ' VAL . 18.4 mt -121.88 123.44 41.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.839 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.448 HG13 ' HD2' ' A' ' 103' ' ' PRO . 30.0 t -109.87 138.49 20.73 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.034 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.448 ' HD2' HG13 ' A' ' 102' ' ' VAL . 5.8 Cg_endo -47.87 123.45 8.51 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.697 2.265 . . . . 0.0 112.009 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.663 HD13 ' OD2' ' A' ' 118' ' ' ASP . 11.0 tp -121.01 -51.61 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 115' ' ' THR . 1.7 m -151.41 123.44 8.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.999 0.428 . . . . 0.0 111.775 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 95.1 m -119.18 105.52 11.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.689 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.442 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 4.9 ttmt -126.18 138.46 53.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.018 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 112' ' ' SER . 28.4 t -102.15 124.18 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.445 HG12 HG22 ' A' ' 47' ' ' ILE . 22.5 t -119.05 124.67 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.36 -65.82 0.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.556 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -176.83 40.28 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.644 ' O ' HG13 ' A' ' 108' ' ' VAL . 2.2 m -144.66 150.06 36.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -92.62 110.03 21.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.81 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 21.7 m -110.46 108.57 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.397 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.849 HG21 ' O ' ' A' ' 89' ' ' LEU . 98.4 m -110.59 144.43 39.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.577 HD11 ' HG ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -121.07 134.6 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.698 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.403 ' HB2' HD22 ' A' ' 101' ' ' LEU . 94.8 m -129.23 141.55 51.1 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -177.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.663 ' OD2' HD13 ' A' ' 104' ' ' LEU . 1.9 p30 -78.93 132.78 36.86 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.408 178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.51 HG21 ' CG1' ' A' ' 77' ' ' VAL . 3.3 t -81.43 113.68 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.61 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.46 145.35 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.416 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.522 ' CA ' HD23 ' A' ' 99' ' ' LEU . 2.0 ttmt -74.6 144.25 44.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.79 179.924 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.6 -51.24 69.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 68.9 m-85 -70.96 -26.8 63.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -72.86 -37.37 67.4 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.686 ' O ' HG13 ' A' ' 20' ' ' VAL . 74.8 t80 -60.84 -36.58 79.5 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.822 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.866 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -66.0 -36.28 82.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.728 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -37.86 66.37 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.64 -48.12 17.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.372 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 17' ' ' LEU . 3.0 m -61.64 -33.57 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 CA-C-O 121.056 0.455 . . . . 0.0 110.525 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.679 HD13 ' HB3' ' A' ' 67' ' ' LYS . 52.4 mt -74.96 -25.0 58.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.516 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.4 -27.37 41.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.436 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.585 ' SG ' HD11 ' A' ' 116' ' ' ILE . 1.3 m -47.28 158.85 0.14 Allowed 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -35.52 8.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.021 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.575 ' HB3' HG13 ' A' ' 83' ' ' VAL . . . -116.36 140.35 49.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.867 HG11 ' CE2' ' A' ' 71' ' ' PHE . 12.2 t -138.67 107.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.21 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.723 ' CB ' HD23 ' A' ' 32' ' ' LEU . 1.1 mmm180 -161.18 143.68 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 111.379 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.402 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -69.67 138.99 53.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.71 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.418 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -52.49 -24.85 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.4 mtt -51.6 -25.78 7.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.265 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.17 68.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.952 0.406 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.723 HD23 ' CB ' ' A' ' 27' ' ' ARG . 3.6 mt -62.71 -17.76 61.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.583 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.46 12.54 5.43 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.95 153.2 10.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 111.717 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . . . -89.58 176.86 6.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.836 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.63 HD11 HH11 ' A' ' 27' ' ' ARG . 1.8 mp -99.88 -67.59 0.85 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.834 0.349 . . . . 0.0 110.827 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER 170.86 153.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.705 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -44.69 -39.66 5.29 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.379 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -73.08 -34.31 66.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.798 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.505 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 1.3 mp0 -70.72 -54.27 12.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.183 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.18 -38.33 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.27 -37.02 85.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -57.05 -56.19 24.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.442 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 2.3 t80 -61.05 -35.15 76.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.045 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -68.13 -35.46 78.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.723 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.79 -36.91 84.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.577 HG22 HG12 ' A' ' 109' ' ' VAL . 66.7 mt -58.3 -57.39 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.866 ' HB3' HD21 ' A' ' 17' ' ' LEU . 4.1 mt -63.74 -46.08 87.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.717 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.812 ' HB2' HD13 ' A' ' 68' ' ' LEU . 1.2 t30 -57.58 -32.49 67.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.56 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -68.83 -28.0 66.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.361 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -70.09 -33.32 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.992 0.425 . . . . 0.0 110.999 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.925 HD11 HD21 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -63.58 -56.38 16.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.734 -179.245 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.505 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.79 -20.63 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.78 -179.383 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.7 m -101.68 22.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 0.0 111.255 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 26.3 t0 -95.98 162.2 13.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.907 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -81.28 -31.38 33.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.05 97.58 10.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.73 86.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.22 -32.49 72.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.5 t -57.8 -49.73 75.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -53.33 -33.92 55.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.273 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -68.79 -41.94 78.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.049 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.863 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.22 -44.82 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.911 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.4 mtt -53.79 -32.76 53.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.53 -30.64 57.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.012 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.679 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -67.52 -37.99 83.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.981 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.925 HD21 HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -75.23 -22.78 57.65 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.836 179.765 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.52 26.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.67 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -113.96 16.84 18.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.984 179.662 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.867 ' CE2' HG11 ' A' ' 26' ' ' VAL . 23.3 t80 -60.81 140.85 57.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.24 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 53.72 64.16 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.381 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' ' 70' ' ' ASP . 3.9 m -107.19 155.75 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.09 95.8 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.794 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -151.43 156.47 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -90.06 132.2 35.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.555 HG23 ' CZ ' ' A' ' 95' ' ' PHE . 16.5 t -81.56 160.06 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.48 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -143.06 163.62 32.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.55 -179.207 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.529 ' HB2' HD21 ' A' ' 99' ' ' LEU . . . -61.74 146.16 50.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.143 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.45 -31.12 7.02 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.92 -158.1 0.22 Allowed 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.99 164.19 37.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 0.0 111.383 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.575 HG13 ' HB3' ' A' ' 25' ' ' ALA . 96.4 t -134.27 122.76 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.51 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.704 HG13 HG13 ' A' ' 26' ' ' VAL . 8.4 p -96.02 114.14 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 111.376 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 27' ' ' ARG . 42.5 t -91.22 115.52 30.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.047 0.451 . . . . 0.0 110.383 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.402 HG13 ' H ' ' A' ' 86' ' ' ILE . 8.8 mt -50.2 -18.38 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.52 ' H ' HG12 ' A' ' 85' ' ' VAL . 2.0 t70 -103.84 -42.76 5.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.258 0.552 . . . . 0.0 109.522 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.539 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.01 -173.51 21.85 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.656 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -178.04 106.64 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.976 0.417 . . . . 0.0 111.256 179.43 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.454 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 91.0 m-20 -113.46 45.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.33 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -169.49 149.43 3.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.315 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.908 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -63.56 114.19 3.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.413 179.472 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -122.64 126.73 48.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.783 ' HA ' HG12 ' A' ' 100' ' ' VAL . 8.6 t-80 -61.95 145.86 51.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.964 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 77' ' ' VAL . 75.2 t80 -123.25 -26.64 4.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.466 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.448 ' N ' ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -179.37 142.62 0.18 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.649 0.261 . . . . 0.0 110.939 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 47.94 -90.67 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.5 m-20 -136.08 6.37 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.569 0.223 . . . . 0.0 111.167 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 121' ' ' LYS . 11.5 mt -86.0 119.71 26.6 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.783 HG12 ' HA ' ' A' ' 94' ' ' HIS . 33.7 m -111.88 174.44 2.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.341 0.591 . . . . 0.0 111.822 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 83' ' ' VAL . 17.3 mt -116.55 123.33 47.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.015 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.9 t -106.77 136.39 19.43 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.169 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.454 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 5.2 Cg_endo -47.69 123.65 8.57 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.609 2.206 . . . . 0.0 111.632 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.491 ' HB3' HG23 ' A' ' 116' ' ' ILE . 11.0 tp -121.46 -51.72 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.847 -178.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.542 ' O ' ' HA ' ' A' ' 115' ' ' THR . 4.5 m -151.69 123.7 8.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.931 0.396 . . . . 0.0 111.915 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.699 HG23 ' OG1' ' A' ' 115' ' ' THR . 49.5 m -114.74 111.92 22.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.828 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -134.71 149.67 50.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.669 HG22 ' HG2' ' A' ' 113' ' ' ARG . 16.4 t -111.9 134.3 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.577 HG12 HG22 ' A' ' 47' ' ' ILE . 19.2 t -134.27 122.89 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.77 -62.57 2.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 176.18 47.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.58 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -163.84 130.15 3.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.669 ' HG2' HG22 ' A' ' 108' ' ' VAL . 2.1 mtt180 -72.76 116.11 12.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 6.7 m -114.86 95.93 5.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.366 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.699 ' OG1' HG23 ' A' ' 106' ' ' THR . 85.0 m -96.96 152.05 19.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.881 0.372 . . . . 0.0 110.697 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.585 HD11 ' SG ' ' A' ' 23' ' ' CYS . 3.1 tt -122.88 141.68 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.875 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.503 ' HB2' HD22 ' A' ' 101' ' ' LEU . 80.7 m -133.09 139.11 46.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.26 136.23 42.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.809 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.536 HG21 ' CG1' ' A' ' 77' ' ' VAL . 2.5 t -86.3 113.49 24.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.72 0.295 . . . . 0.0 110.283 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.428 ' C ' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -130.71 145.41 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.993 0.425 . . . . 0.0 111.564 -178.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.531 ' N ' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -74.57 152.31 39.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.13 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.782 0.325 . . . . 0.0 110.746 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -64.77 -40.09 94.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.661 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.807 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.5 m-85 -70.68 -30.06 66.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.394 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -73.31 -30.66 63.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.727 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CE2' ' HB2' ' A' ' 107' ' ' LYS . 1.3 t80 -63.21 -48.4 78.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.202 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.807 HD23 ' HA ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -62.8 -33.65 75.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.454 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.471 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 13.4 m -57.4 -33.92 68.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.46 -25.8 57.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.293 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.878 HG13 HG21 ' A' ' 84' ' ' VAL . 67.5 t -68.33 -48.73 71.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.96 0.409 . . . . 0.0 110.214 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.865 HD13 ' HB2' ' A' ' 67' ' ' LYS . 3.8 mt -60.86 -25.98 67.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.625 178.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.408 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 2.0 t0 -71.45 -28.49 64.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.165 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' A' ' 116' ' ' ILE . 74.2 m -51.25 171.56 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.766 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.734 ' HB2' ' HB ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -111.96 -39.55 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.425 -179.522 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.16 140.17 49.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.988 0.423 . . . . 0.0 111.283 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.67 107.32 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.724 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.892 ' HB3' HD23 ' A' ' 32' ' ' LEU . 10.0 mmt-85 -136.93 172.49 12.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.84 144.05 38.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -59.58 -39.13 83.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.717 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.9 ptp -58.46 -26.6 63.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.718 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -157.63 67.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.892 HD23 ' HB3' ' A' ' 27' ' ' ARG . 4.9 mt -60.98 -24.77 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -95.12 12.52 28.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.592 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.53 118.76 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 111.491 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.29 177.57 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 5.0 mp -85.63 -67.04 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 111.006 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.25 154.98 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.684 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -42.26 51.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.719 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.05 -34.52 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.668 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -62.58 -56.84 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.402 HG11 ' CB ' ' A' ' 72' ' ' ALA . 59.6 t -55.92 -31.23 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.765 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.31 94.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.627 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.06 -53.89 52.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.276 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.513 ' CE2' HG23 ' A' ' 86' ' ' ILE . 21.9 t80 -58.35 -33.79 69.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.163 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.418 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.94 -35.18 77.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.382 179.461 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -76.48 -30.22 57.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 44' ' ' TYR . 61.3 mt -56.06 -61.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.051 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.66 ' N ' HD23 ' A' ' 48' ' ' LEU . 1.8 mt -68.54 -41.21 80.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.981 0.42 . . . . 0.0 110.415 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -58.29 -40.36 81.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.604 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -67.2 -27.45 67.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.093 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -33.29 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.036 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.762 HD22 HD12 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -64.05 -56.48 14.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.99 -179.018 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -49.18 -25.18 2.06 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.205 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -104.34 22.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 111.42 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -85.73 154.25 21.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.587 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -68.75 -56.77 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.16 99.64 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.82 -26.04 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.31 -38.56 71.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.231 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -75.72 -36.87 59.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -55.54 -36.75 67.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -58.58 -36.78 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.174 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -48.9 31.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.197 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.762 HD12 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -70.15 -36.77 74.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.814 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.61 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.18 -36.74 71.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 -179.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.92 -40.57 39.29 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.865 ' HB2' HD13 ' A' ' 21' ' ' LEU . 5.1 mmmt -63.31 -27.41 69.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.725 178.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.73 ' CD2' HD21 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -73.32 -30.43 63.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.942 179.074 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.62 -20.43 55.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.515 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.756 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -115.03 16.9 17.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.59 -179.522 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.411 ' HB3' ' CG ' ' A' ' 45' ' ' ARG . 26.4 t80 -57.27 137.32 56.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.306 . . . . 0.0 111.074 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.402 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 58.1 68.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.756 HG13 ' O ' ' A' ' 70' ' ' ASP . 2.3 m -106.99 155.78 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -82.82 96.77 8.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 24' ' ' ARG . 17.2 pt20 -155.56 139.62 16.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.15 147.24 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.076 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.734 ' HB ' ' HB2' ' A' ' 24' ' ' ARG . 1.9 p -131.04 123.81 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -111.72 -158.41 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.695 -179.762 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.558 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -67.7 149.66 49.71 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.07 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.12 -31.5 7.3 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.245 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.564 ' HB2' HG23 ' A' ' 77' ' ' VAL . 58.6 m-20 -91.46 -169.68 2.38 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.407 ' HD3' ' CD2' ' A' ' 104' ' ' LEU . 36.1 mtm180 -140.01 156.68 46.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.073 0.463 . . . . 0.0 111.722 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.525 ' CG2' HD21 ' A' ' 101' ' ' LEU . 60.4 t -122.39 119.5 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.353 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.878 HG21 HG13 ' A' ' 20' ' ' VAL . 7.4 p -92.98 119.64 41.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 111.35 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 89' ' ' LEU . 4.0 t -93.88 116.04 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.513 HG23 ' CE2' ' A' ' 44' ' ' TYR . 6.9 mt -56.52 -19.96 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.921 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.655 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 7.1 t0 -100.85 -43.43 6.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.429 . . . . 0.0 109.847 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.501 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.59 -173.29 22.13 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.4 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.829 ' O ' HG21 ' A' ' 115' ' ' THR . 3.7 mt -177.88 122.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.15 41.78 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.02 158.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.872 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -60.36 131.87 52.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.582 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -146.07 129.01 16.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.966 0.412 . . . . 0.0 112.025 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.797 ' HA ' HG12 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -62.72 138.1 58.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.378 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.533 ' CE2' HG13 ' A' ' 77' ' ' VAL . 70.5 t80 -127.43 -2.6 6.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.245 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HD3' ' CD2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -155.33 -167.61 2.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.643 0.258 . . . . 0.0 110.633 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -43.6 12.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.858 0.361 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -146.08 -15.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.921 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 121' ' ' LYS . 90.8 mt -74.59 129.21 37.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.669 0.271 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.797 HG12 ' HA ' ' A' ' 94' ' ' HIS . 17.1 m -111.0 -176.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.213 0.53 . . . . 0.0 111.592 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.525 HD21 ' CG2' ' A' ' 83' ' ' VAL . 93.2 mt -127.88 123.56 35.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.223 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.872 HG22 ' HG3' ' A' ' 92' ' ' MET . 22.6 t -106.46 132.87 20.54 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.005 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.86 123.59 8.71 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.446 2.097 . . . . 0.0 111.676 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.592 ' HB3' HG22 ' A' ' 116' ' ' ILE . 11.0 tp -121.72 -51.77 2.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.663 -179.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.492 ' O ' ' HA ' ' A' ' 115' ' ' THR . 2.9 m -148.54 123.44 9.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.837 0.351 . . . . 0.0 111.603 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.499 HG21 ' NH1' ' A' ' 113' ' ' ARG . 92.8 m -118.6 120.97 39.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.991 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.438 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 17.3 mttm -156.1 122.15 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.849 HG23 ' C ' ' A' ' 112' ' ' SER . 2.3 p -81.8 135.81 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.734 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.515 HG11 HD22 ' A' ' 48' ' ' LEU . 12.4 t -126.98 114.69 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.912 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.96 -10.2 69.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.669 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.57 0.01 6.27 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.071 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.849 ' C ' HG23 ' A' ' 108' ' ' VAL . 19.1 m -125.85 130.71 51.9 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.099 0.476 . . . . 0.0 111.437 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.499 ' NH1' HG21 ' A' ' 106' ' ' THR . 0.8 OUTLIER -57.76 146.79 30.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.494 -179.771 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 6.0 t -140.77 93.62 2.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.445 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.829 HG21 ' O ' ' A' ' 89' ' ' LEU . 92.4 m -96.94 141.11 30.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.192 0.52 . . . . 0.0 111.462 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.592 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -118.19 134.37 62.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.035 178.431 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 63.5 m -130.78 139.63 50.24 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.46 133.95 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.764 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.52 HG21 HG22 ' A' ' 77' ' ' VAL . 11.2 t -81.62 115.41 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.833 0.349 . . . . 0.0 110.625 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.53 148.25 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.235 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.613 ' HA ' HD23 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -74.48 147.26 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.692 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.868 -179.916 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.789 0.328 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.41 -52.18 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 51.4 m-85 -70.87 -26.52 63.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.768 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -32.62 70.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 68.1 t80 -64.98 -39.56 93.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.903 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -61.11 -39.66 90.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.481 179.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -36.77 65.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.143 0.497 . . . . 0.0 109.892 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.13 -38.47 51.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.312 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.85 HG13 HG21 ' A' ' 84' ' ' VAL . 91.0 t -65.24 -59.32 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.105 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD13 ' HB2' ' A' ' 67' ' ' LYS . 16.0 mt -57.23 -22.58 42.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.941 178.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.95 -32.6 65.35 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.621 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.583 ' SG ' HG12 ' A' ' 84' ' ' VAL . 8.9 p -44.03 164.19 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.856 0.36 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.844 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.8 mpt_? -98.09 -26.66 14.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.526 ' HB3' HG21 ' A' ' 77' ' ' VAL . . . -152.8 143.44 22.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.886 HG13 ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -129.73 137.65 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.026 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -151.61 -175.66 5.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.758 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.634 ' CB ' HD11 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -104.6 131.22 52.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.015 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.708 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -58.34 -43.81 88.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.952 0.406 . . . . 0.0 110.357 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtt -53.24 -25.39 14.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.789 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -166.28 73.86 0.17 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.424 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.8 OUTLIER -67.88 -17.91 64.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.479 -179.542 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -86.55 12.45 10.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.602 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.43 132.55 0.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.817 0.341 . . . . 0.0 111.256 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.11 177.5 4.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.002 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.64 HD11 ' CD1' ' A' ' 86' ' ' ILE . 2.7 mp -91.67 -67.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.379 . . . . 0.0 110.997 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER 175.62 154.01 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 179.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -45.79 -36.6 5.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.333 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.98 -34.41 61.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.504 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.84 -59.06 3.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.996 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.51 HG11 ' CB ' ' A' ' 72' ' ' ALA . 34.2 t -56.17 -40.78 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -42.84 92.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -57.17 -44.16 83.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.379 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.618 ' HA ' HD12 ' A' ' 47' ' ' ILE . 29.5 t80 -70.59 -34.8 72.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.3 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.499 ' CD ' HG12 ' A' ' 41' ' ' VAL . 6.9 mtp180 -66.84 -35.28 79.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.725 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.9 -34.09 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 44' ' ' TYR . 41.5 mt -61.45 -60.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' A' ' 17' ' ' LEU . 3.9 mt -62.65 -49.53 74.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.656 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -54.67 -32.15 58.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.901 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -69.27 -28.31 66.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.282 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -68.73 -33.37 73.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 111.037 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.681 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -64.55 -56.45 13.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.727 -179.177 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.495 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -55.99 -33.56 64.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.739 0.304 . . . . 0.0 111.543 -179.268 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.901 HG22 ' O ' ' A' ' 50' ' ' ALA . 10.5 m -94.43 22.28 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.501 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 35.4 t0 -90.67 161.66 15.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.752 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -79.38 -31.56 42.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.85 100.0 12.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.19 86.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.76 92.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -71.39 -38.32 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.3 t -51.49 -54.5 26.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -33.86 26.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -70.43 -52.22 23.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.681 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.13 -38.09 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.837 -179.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.652 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.26 -32.16 64.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.43 -41.46 24.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 109.965 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.718 ' HB2' HD13 ' A' ' 21' ' ' LEU . 5.4 mtmt -64.31 -27.32 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.837 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -73.93 -31.27 62.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.989 179.15 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.43 -25.84 38.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.343 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -105.98 17.15 24.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.422 -179.722 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 29.8 t80 -65.23 129.39 39.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.246 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.886 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . 71.7 39.19 0.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.471 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 70' ' ' ASP . 65.3 t -107.06 146.29 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.861 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -69.41 103.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -126.19 142.87 51.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -63.83 109.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.844 HG22 ' HB3' ' A' ' 24' ' ' ARG . 22.7 t -95.58 139.15 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -134.33 -160.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.426 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -82.81 148.54 27.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.247 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.65 -31.06 7.53 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.448 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -82.6 -166.96 1.43 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HD3' HD23 ' A' ' 104' ' ' LEU . 1.8 mtm180 -146.79 155.3 42.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 111.415 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.672 HG23 HD21 ' A' ' 101' ' ' LEU . 94.0 t -112.44 116.23 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.96 179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.85 HG21 HG13 ' A' ' 20' ' ' VAL . 8.5 p -92.27 111.06 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 110.997 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.708 HG11 ' HB2' ' A' ' 29' ' ' ALA . 4.8 t -88.25 136.57 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.057 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.64 ' CD1' HD11 ' A' ' 36' ' ' LEU . 19.7 pt -73.01 -16.9 17.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.714 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.585 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -102.97 -44.59 5.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.973 0.416 . . . . 0.0 110.013 179.204 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.505 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.72 -173.15 21.94 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.237 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.784 ' O ' HG21 ' A' ' 115' ' ' THR . 12.0 tp -177.99 106.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.953 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.69 44.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.69 156.65 0.89 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 30.6 ttm -57.87 142.82 44.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.41 ' HB3' HD21 ' A' ' 89' ' ' LEU . . . -155.91 122.6 5.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.496 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -63.6 152.42 38.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.991 0.424 . . . . 0.0 110.798 179.671 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -115.61 -34.74 4.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.584 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' ASP . 2.6 pttp 178.85 143.99 0.13 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.708 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 52.93 -85.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.09 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -138.95 1.69 2.08 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.933 HD22 HG12 ' A' ' 119' ' ' VAL . 12.0 mt -74.51 119.43 18.69 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.582 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -114.23 137.76 46.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.192 0.52 . . . . 0.0 111.496 -179.227 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.672 HD21 HG23 ' A' ' 83' ' ' VAL . 15.8 mt -98.16 123.91 42.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.5 t -110.53 137.11 20.62 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -48.11 123.73 9.22 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.669 2.246 . . . . 0.0 111.96 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.547 HD23 ' HD3' ' A' ' 82' ' ' ARG . 11.7 tp -120.9 -44.32 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.568 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 115' ' ' THR . 54.2 m -160.72 133.4 6.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 111.763 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 95.3 m -124.57 121.29 34.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.779 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 43.2 mttt -140.34 131.02 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 113' ' ' ARG . 22.9 t -93.65 140.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.678 HG11 HD22 ' A' ' 48' ' ' LEU . 21.6 t -142.53 114.74 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.453 ' HA3' HG21 ' A' ' 47' ' ' ILE . . . 70.36 36.03 69.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.507 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.9 28.35 64.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.514 ' C ' HG13 ' A' ' 108' ' ' VAL . 3.9 m -140.03 118.73 12.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.536 ' HA ' HG22 ' A' ' 108' ' ' VAL . 37.2 mtm180 -65.2 147.38 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.1 t -140.53 97.65 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.784 HG21 ' O ' ' A' ' 89' ' ' LEU . 89.9 m -104.87 140.74 37.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.3 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.502 HG23 ' HA ' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -122.17 142.06 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.797 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.568 ' HB2' HD22 ' A' ' 101' ' ' LEU . 83.6 m -132.42 138.36 47.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.177 -178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -69.22 141.32 54.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.873 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.933 HG12 HD22 ' A' ' 99' ' ' LEU . 2.4 t -89.49 102.83 13.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.104 0.478 . . . . 0.0 110.775 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.505 HG23 HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -122.1 138.44 52.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.693 -179.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.26 135.94 42.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.965 0.412 . . . . 0.0 111.181 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.849 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.426 ' HA ' ' CG ' ' A' ' 15' ' ' GLN . 31.9 p-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.752 0.31 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.32 -45.72 90.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.101 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.598 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.0 m-85 -64.83 -26.79 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HG2' ' H ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -81.03 -37.15 29.59 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.395 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CD1' ' HD3' ' A' ' 107' ' ' LYS . 21.9 t80 -62.23 -54.14 45.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.047 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.022 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -60.02 -36.41 77.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.142 0.496 . . . . 0.0 110.007 179.42 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.481 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 39.9 t -63.68 -30.75 71.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.42 -26.47 51.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.759 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.022 HG22 ' O ' ' A' ' 17' ' ' LEU . 6.1 m -69.7 -30.05 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.146 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.79 HD13 ' HB2' ' A' ' 67' ' ' LYS . 10.3 mt -70.04 -23.47 63.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -36.32 72.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.287 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.5 m -46.66 169.52 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.004 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.53 -45.24 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.559 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.17 140.22 49.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 111.282 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.836 HG11 ' CE1' ' A' ' 71' ' ' PHE . 21.9 t -118.56 107.22 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.952 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.808 ' HB3' HD23 ' A' ' 32' ' ' LEU . 1.2 mmp_? -141.52 -178.75 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.43 ' HB2' HD12 ' A' ' 86' ' ' ILE . 1.6 t -123.46 153.38 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.532 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -60.31 -44.29 95.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.1 mmt -56.35 -27.0 54.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.96 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.441 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 8.1 p30 -155.93 71.01 0.72 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' A' ' 27' ' ' ARG . 2.0 mt -67.9 -18.36 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.321 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.66 12.65 19.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.39 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HB3' ' HB2' ' A' ' 31' ' ' ASN . . . -149.27 115.67 5.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 111.357 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -70.87 177.54 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD23 ' NE2' ' A' ' 40' ' ' GLN . 4.1 mp -94.17 -67.0 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 40' ' ' GLN . 0.1 OUTLIER 172.33 160.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.157 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -46.46 -50.12 17.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.362 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -34.42 78.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.547 ' NE2' HD23 ' A' ' 36' ' ' LEU . 6.5 mm-40 -67.85 -55.52 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.531 HG11 ' CB ' ' A' ' 72' ' ' ALA . 44.6 t -58.96 -43.46 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.98 92.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.7 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.437 ' O ' HG13 ' A' ' 47' ' ' ILE . 13.4 mm-40 -57.15 -51.84 67.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.152 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.422 ' CE2' HG23 ' A' ' 86' ' ' ILE . 8.9 t80 -61.28 -36.0 78.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.318 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -64.43 -33.71 76.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.801 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.484 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 3.9 m-20 -73.1 -25.76 60.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 43' ' ' GLN . 32.5 mt -64.01 -60.9 2.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 48' ' ' LEU . 1.8 mt -64.1 -47.36 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.495 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.425 ' HB2' HD13 ' A' ' 68' ' ' LEU . 1.2 t30 -57.96 -30.79 66.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.645 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -69.25 -28.0 65.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.292 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 54' ' ' VAL . 32.8 t -70.74 -33.33 70.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.897 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -63.72 -56.47 15.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.695 -179.286 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.508 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -53.0 -21.81 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.816 -179.277 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.5 m -101.64 22.21 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.649 0.261 . . . . 0.0 111.208 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -91.34 166.55 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -29.42 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.04 99.23 10.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.03 -46.52 88.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.13 93.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -67.37 -40.44 85.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.9 p -60.41 -56.63 19.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.98 -33.9 26.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.318 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -61.51 -45.25 95.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.652 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.848 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.17 -36.2 74.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.479 179.639 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.897 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.6 mtt -54.81 -37.22 65.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.115 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.97 57.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.301 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.79 ' HB2' HD13 ' A' ' 21' ' ' LEU . 11.7 mtpp -71.01 -30.97 67.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.285 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.71 ' HA ' HD22 ' A' ' 21' ' ' LEU . 5.7 tt -76.53 -23.85 53.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.868 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.34 25.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.915 0.388 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -100.19 17.03 22.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.836 ' CE1' HG11 ' A' ' 26' ' ' VAL . 24.1 t80 -70.82 132.88 45.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.868 0.366 . . . . 0.0 111.18 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.531 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 59.29 55.66 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.526 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 70' ' ' ASP . 55.0 t -107.21 153.66 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.404 ' N ' HG12 ' A' ' 73' ' ' VAL . 12.2 mm-40 -69.35 108.49 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -169.49 144.68 3.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.68 141.65 30.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.561 ' CG1' HG21 ' A' ' 119' ' ' VAL . 24.7 t -81.44 154.51 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.545 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.417 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -138.57 165.4 26.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.471 -179.155 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.479 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.55 144.11 56.46 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.166 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.39 -31.16 7.34 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.96 -160.42 0.32 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.623 ' HE ' HD23 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -146.84 155.12 42.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.006 0.431 . . . . 0.0 111.595 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.2 t -118.23 118.95 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.257 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 84' ' ' VAL . 4.6 p -92.65 122.98 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 0.0 111.538 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 87' ' ' ASP . 5.2 t -101.54 116.22 44.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.271 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.43 HD12 ' HB2' ' A' ' 28' ' ' SER . 7.1 mt -57.61 -17.96 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.626 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.532 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 4.8 t0 -101.02 -44.21 5.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.127 0.489 . . . . 0.0 109.946 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.497 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.81 -163.33 25.01 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.138 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.849 HD23 ' SG ' ' A' ' 117' ' ' CYS . 11.9 tp -177.92 106.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.958 0.408 . . . . 0.0 110.976 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.15 35.7 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.62 173.09 2.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.408 ' SD ' HG11 ' A' ' 100' ' ' VAL . 24.2 ttp -84.68 130.91 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -137.74 145.63 42.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -75.35 152.38 38.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.897 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.555 ' HB2' HD11 ' A' ' 101' ' ' LEU . 69.9 t80 -126.72 -17.96 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.791 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -151.63 -167.61 2.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.046 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 -41.82 6.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.059 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -145.96 -6.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.54 119.74 19.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.787 0.327 . . . . 0.0 110.313 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.52 HG12 HG23 ' A' ' 120' ' ' VAL . 0.5 OUTLIER -110.18 155.35 11.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 95' ' ' PHE . 5.5 mt -116.04 124.03 49.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.905 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 103' ' ' PRO . 36.2 t -109.54 137.6 20.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.89 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 102' ' ' VAL . 6.1 Cg_endo -47.77 123.69 8.74 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.708 2.272 . . . . 0.0 112.12 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.623 HD23 ' HE ' ' A' ' 82' ' ' ARG . 11.7 tp -121.18 -45.16 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.477 ' HB ' HG13 ' A' ' 116' ' ' ILE . 54.7 m -160.88 128.91 4.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.027 0.442 . . . . 0.0 111.721 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 98.2 m -122.52 118.42 28.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.771 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.442 ' HD3' ' CD1' ' A' ' 16' ' ' PHE . 0.9 OUTLIER -139.71 138.44 35.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.928 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.21 136.93 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.232 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.465 HG11 HD22 ' A' ' 48' ' ' LEU . 21.4 t -142.17 114.98 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 67.5 49.7 48.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 60.42 28.5 67.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.404 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m -142.41 125.41 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.337 . . . . 0.0 111.022 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 148.27 48.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 17.5 t -140.65 101.43 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.497 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 86.9 m -108.13 141.24 40.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.477 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -122.32 141.97 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.849 ' SG ' HD23 ' A' ' 89' ' ' LEU . 82.2 m -133.6 136.65 45.01 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.985 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.15 143.85 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.995 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.561 HG21 ' CG1' ' A' ' 77' ' ' VAL . 10.5 t -91.38 104.3 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.963 0.411 . . . . 0.0 110.72 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.52 HG23 HG12 ' A' ' 100' ' ' VAL . 0.9 OUTLIER -128.88 139.68 51.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.906 -179.612 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.44 124.3 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.845 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.491 ' O ' HD12 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER 41.28 -89.11 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.654 0.382 . . . . 0.0 111.777 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 1' ' ' GLY . 39.3 p -82.02 -43.67 17.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.86 0.362 . . . . 0.0 110.574 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.01 -25.86 23.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.795 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.89 HG21 HD23 ' A' ' 9' ' ' LEU . 52.5 m -98.43 -48.0 5.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.502 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 6' ' ' LEU . 7.6 mt 63.71 -83.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -126.83 -29.81 2.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.776 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.8 79.01 7.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.874 0.368 . . . . 0.0 110.808 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.89 HD23 HG21 ' A' ' 5' ' ' THR . 6.5 mt -73.51 152.64 40.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.6 p -94.22 178.59 5.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.984 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -66.01 -45.58 81.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.63 -48.66 53.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' CE2' ' HB2' ' A' ' 9' ' ' LEU . 26.9 m-85 -58.7 -26.39 63.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -32.09 73.49 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 20' ' ' VAL . 64.1 t80 -71.45 -36.86 71.38 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.993 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -68.25 -42.44 79.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.453 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -54.72 -33.52 61.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.217 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.01 -38.77 52.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.37 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.049 HG13 HG21 ' A' ' 84' ' ' VAL . 91.8 t -61.16 -54.46 34.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.116 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.696 HD22 ' HA ' ' A' ' 68' ' ' LEU . 15.9 mt -60.18 -27.3 67.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.991 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.46 -28.31 61.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.512 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.672 ' SG ' HD11 ' A' ' 116' ' ' ILE . 93.7 m -49.48 156.49 0.62 Allowed 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -94.09 -28.47 15.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.8 ' HB3' HG13 ' A' ' 83' ' ' VAL . . . -118.03 140.25 50.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.03 0.443 . . . . 0.0 111.422 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.573 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 15.3 t -139.54 107.45 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.453 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.734 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -148.5 -175.52 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 -179.368 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.629 ' HB2' HD11 ' A' ' 86' ' ' ILE . 2.0 t -110.53 139.77 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -59.89 -46.26 89.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.494 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -26.07 16.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.682 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -161.73 78.22 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.352 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.734 HD23 ' HB3' ' A' ' 27' ' ' ARG . 13.1 mt -72.43 -34.63 67.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.473 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -81.1 -12.95 59.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.685 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.0 127.7 30.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 111.469 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . . . -66.96 177.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.753 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 36' ' ' LEU . 4.1 mp -95.46 -66.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -175.85 163.61 2.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.616 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -56.75 -43.39 80.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.637 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.11 -34.53 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.623 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.429 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 1.6 mp0 -61.2 -57.36 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.041 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 37' ' ' THR . 40.1 t -55.85 -43.51 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.53 78.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.758 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -58.13 -55.08 39.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.529 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.526 ' HA ' HD12 ' A' ' 47' ' ' ILE . 41.8 t80 -60.91 -33.66 73.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.354 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -37.54 87.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.599 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -68.6 -30.79 69.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 44' ' ' TYR . 63.8 mt -58.48 -60.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' A' ' 17' ' ' LEU . 4.6 mt -68.06 -43.95 77.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.519 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -54.42 -34.41 61.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.843 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -73.21 -27.94 61.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -33.36 74.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.12 0.486 . . . . 0.0 110.411 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.802 HD22 HD12 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -62.69 -56.51 17.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.62 -179.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -53.82 -59.74 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.36 . . . . 0.0 111.218 -179.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 50' ' ' ALA . 2.7 m -53.51 -23.62 7.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.622 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -48.02 164.94 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.823 0.344 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -87.64 -33.36 18.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -91.1 98.42 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.76 -30.11 70.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.244 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.12 -47.15 63.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.188 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -65.14 -40.98 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 p -54.01 -35.91 62.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -43.18 95.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -60.22 -54.73 42.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.048 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.802 HD12 HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -70.28 -33.74 71.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.64 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -54.04 -36.64 63.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.963 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.37 -32.65 37.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.509 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.86 -30.72 70.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.276 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.696 ' HA ' HD22 ' A' ' 21' ' ' LEU . 6.7 tt -76.69 -29.56 56.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.615 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.38 -24.17 28.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.072 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.2 16.99 25.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.573 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 46.7 t80 -51.35 127.54 20.01 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.879 0.371 . . . . 0.0 111.18 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.8 44.82 6.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.5 p -92.91 152.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.27 112.24 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -150.58 155.9 40.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.805 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -84.94 123.41 30.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 78' ' ' THR . 29.0 t -81.54 159.27 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.497 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -153.34 162.81 40.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.294 -179.156 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.75 147.94 52.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.966 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.69 -31.03 7.18 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.195 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.07 -158.14 0.09 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.455 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 3.8 mpt_? -155.66 149.8 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.073 0.463 . . . . 0.0 111.568 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.8 HG13 ' HB3' ' A' ' 25' ' ' ALA . 48.3 t -110.03 117.77 55.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.931 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.049 HG21 HG13 ' A' ' 20' ' ' VAL . 14.1 p -92.51 118.05 37.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.442 . . . . 0.0 111.208 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.583 HG12 ' H ' ' A' ' 87' ' ' ASP . 5.7 t -98.04 130.26 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.982 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.629 HD11 ' HB2' ' A' ' 28' ' ' SER . 16.9 pt -68.58 -15.18 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.655 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -104.82 -44.67 4.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.296 179.564 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . 135.8 -171.49 22.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.439 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.726 HD23 ' SG ' ' A' ' 117' ' ' CYS . 14.5 tp -177.94 106.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.606 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.89 -23.85 17.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.415 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.96 156.94 25.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.968 0.413 . . . . 0.0 111.16 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.663 ' HG3' HG22 ' A' ' 102' ' ' VAL . 1.2 ttm -66.49 142.99 57.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.626 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -148.81 142.02 25.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.593 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 47.3 t-80 -69.06 152.73 44.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.979 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.519 ' HB2' HD11 ' A' ' 101' ' ' LEU . 64.6 t80 -120.03 -36.62 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.724 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.89 160.63 0.66 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.439 -179.592 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.4 t70 44.41 -86.37 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.195 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 96' ' ' LYS . 70.1 m-20 -149.09 18.23 0.97 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.612 0.244 . . . . 0.0 111.092 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.47 HD22 HG12 ' A' ' 119' ' ' VAL . 20.1 mt -92.09 127.07 37.42 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.363 . . . . 0.0 110.464 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.527 HG21 ' SD ' ' A' ' 92' ' ' MET . 0.4 OUTLIER -110.24 142.83 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.315 -179.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -100.6 124.19 45.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.676 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.663 HG22 ' HG3' ' A' ' 92' ' ' MET . 33.9 t -111.18 137.14 20.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.413 ' HD2' HG13 ' A' ' 102' ' ' VAL . 6.2 Cg_endo -48.24 124.31 10.24 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.781 2.32 . . . . 0.0 111.965 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.601 ' HB3' HG22 ' A' ' 116' ' ' ILE . 0.8 OUTLIER -118.21 -51.61 2.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.641 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.5 m -153.82 128.56 9.41 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.067 0.46 . . . . 0.0 112.111 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 86.5 m -117.64 122.7 44.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.777 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 30.9 mttp -136.74 138.68 41.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.41 118.02 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.046 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.29 128.07 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.052 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.17 28.74 64.55 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.27 32.62 42.65 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -137.79 120.48 16.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.964 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.13 139.8 58.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 34.4 t -140.52 98.74 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.697 HG21 ' O ' ' A' ' 89' ' ' LEU . 90.8 m -102.03 143.35 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.157 0.503 . . . . 0.0 111.272 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.672 HD11 ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -121.26 139.27 48.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.105 178.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.726 ' SG ' HD23 ' A' ' 89' ' ' LEU . 61.0 m -131.98 140.89 49.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.113 0.482 . . . . 0.0 112.282 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.568 ' HB2' HD13 ' A' ' 104' ' ' LEU . 10.0 t0 -75.31 138.31 41.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.895 178.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.47 HG12 HD22 ' A' ' 99' ' ' LEU . 2.1 t -87.74 102.91 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.008 0.432 . . . . 0.0 110.559 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.525 HG23 HG12 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -120.02 141.15 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.152 -179.295 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -74.61 126.54 31.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.072 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.39 106.84 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.481 ' HA3' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 175.82 -169.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.72 0.295 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.784 ' O ' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -68.54 -53.54 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.432 179.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.514 ' O ' HD21 ' A' ' 9' ' ' LEU . . . -57.16 -30.88 64.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.135 0.493 . . . . 0.0 110.18 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 8' ' ' ALA . 27.2 m -70.34 -53.39 16.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.152 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 3' ' ' THR . 0.3 OUTLIER 51.38 86.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.53 179.523 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 50.99 36.71 15.78 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.802 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.707 ' H ' HG22 ' A' ' 5' ' ' THR . . . 69.37 108.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.514 HD21 ' O ' ' A' ' 4' ' ' ALA . 54.5 mt -57.79 147.49 28.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.033 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.8 p -81.07 175.2 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -59.57 -28.83 67.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -45.55 88.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -52.07 60.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.841 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.405 ' CE2' ' OD2' ' A' ' 55' ' ' ASP . 28.7 m-85 -63.06 -26.63 68.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.26 -34.82 71.07 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.52 ' O ' HG13 ' A' ' 20' ' ' VAL . 30.1 t80 -61.69 -36.79 81.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.938 179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.747 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.5 OUTLIER -69.96 -33.48 72.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.378 179.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.79 -34.21 62.39 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.54 -48.08 17.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.998 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 17' ' ' LEU . 2.4 m -61.11 -45.76 97.94 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 CA-C-O 120.932 0.396 . . . . 0.0 110.468 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 67' ' ' LYS . 86.7 mt -66.33 -21.95 66.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.664 178.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.77 -36.69 50.29 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.474 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.476 ' SG ' HG22 ' A' ' 116' ' ' ILE . 1.3 m -44.29 153.58 0.14 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.4 -47.78 9.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.37 140.77 48.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 111.365 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.754 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.5 t -122.52 107.28 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.792 ' NH2' ' HB2' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -129.83 -175.66 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.58 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.424 ' HB2' HD11 ' A' ' 86' ' ' ILE . 43.8 t -109.7 147.06 33.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -70.99 -48.45 53.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.666 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -25.46 22.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.659 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.71 73.92 0.92 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.561 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' ' 27' ' ' ARG . 1.2 mt -74.36 -18.07 60.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.384 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -81.99 0.94 37.87 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.56 155.8 6.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.998 0.428 . . . . 0.0 111.551 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.792 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . . . -79.24 177.53 8.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.893 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.503 ' HB3' ' HG2' ' A' ' 40' ' ' GLN . 5.0 mp -96.54 -66.91 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.87 150.57 2.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.586 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 p -49.75 -45.27 49.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.973 0.416 . . . . 0.0 110.5 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -75.1 -34.43 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.543 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.503 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 1.6 tp-100 -57.74 -58.86 6.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.961 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.7 m -57.66 -32.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.945 0.402 . . . . 0.0 110.7 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.98 89.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -57.05 -56.38 22.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.492 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -64.92 -33.72 76.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.241 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' O ' HD11 ' A' ' 68' ' ' LEU . 1.6 mtm180 -63.1 -34.08 76.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.747 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.4 -38.61 65.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.061 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.5 mt -52.27 -61.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.747 ' HB3' HD21 ' A' ' 17' ' ' LEU . 2.6 mt -59.05 -49.74 76.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.988 0.423 . . . . 0.0 110.406 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.418 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 4.3 t30 -54.68 -29.9 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.705 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.606 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -68.96 -28.22 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.521 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -70.18 -33.13 71.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.989 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.747 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.2 OUTLIER -66.63 -56.41 10.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.881 -179.133 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.485 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.46 -21.25 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.041 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 50' ' ' ALA . 2.7 m -94.98 22.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.696 0.284 . . . . 0.0 111.449 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD2' ' CE2' ' A' ' 14' ' ' PHE . 5.9 t0 -103.41 153.83 20.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.674 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 -77.86 -35.54 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.042 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -81.14 99.11 8.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.23 86.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.75 -49.27 78.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -65.22 -34.55 78.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -60.16 -49.28 78.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -51.78 -36.38 47.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -63.8 -48.89 75.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.7 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.21 -43.71 70.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.613 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.747 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -56.16 -37.85 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.37 -31.58 42.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.468 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.553 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -69.89 -33.21 71.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.372 179.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' ' 45' ' ' ARG . 2.3 tt -76.65 -24.97 53.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.755 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.55 -20.74 22.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.404 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.21 16.87 23.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.69 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.754 ' CE2' HG11 ' A' ' 26' ' ' VAL . 1.9 t80 -59.0 135.38 57.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.16 31.67 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.239 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.1 p -76.85 151.73 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.42 94.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -140.88 158.47 43.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.88 126.24 43.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.543 HG12 HG21 ' A' ' 119' ' ' VAL . 10.6 t -81.53 160.86 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.575 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.475 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -150.17 164.07 36.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.409 -179.212 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.422 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -61.31 145.73 50.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.04 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.64 -31.13 7.08 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -83.36 -158.13 0.28 Allowed 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.27 166.3 29.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.07 0.462 . . . . 0.0 111.588 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.588 ' CG2' HD21 ' A' ' 101' ' ' LEU . 64.3 t -132.29 121.84 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.217 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.535 HG13 HG13 ' A' ' 26' ' ' VAL . 7.7 p -92.85 131.43 39.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.061 0.457 . . . . 0.0 111.464 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.774 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.3 t -108.47 121.84 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.649 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.424 HD11 ' HB2' ' A' ' 28' ' ' SER . 1.8 pt -60.0 -19.34 17.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.801 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -102.04 -44.77 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.42 179.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.508 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.71 -170.36 23.13 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.629 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.462 HD23 ' SG ' ' A' ' 117' ' ' CYS . 2.8 tp -178.22 159.18 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.742 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.4 p30 -161.52 43.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -177.55 158.57 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.922 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -63.77 117.4 6.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.259 179.503 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -127.12 125.29 40.96 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.799 ' HA ' HG12 ' A' ' 100' ' ' VAL . 31.3 t-80 -55.76 149.42 14.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.968 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 96' ' ' LYS . 80.6 t80 -127.37 -30.24 2.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.407 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.45 148.13 0.24 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.732 0.301 . . . . 0.0 111.086 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.8 t70 46.67 -89.82 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.222 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' LYS . 57.3 m-20 -141.03 15.31 2.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.674 0.273 . . . . 0.0 111.146 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 121' ' ' LYS . 44.8 mt -98.69 124.59 43.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.168 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 94' ' ' HIS . 36.0 m -110.06 178.47 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.389 0.614 . . . . 0.0 112.05 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.588 HD21 ' CG2' ' A' ' 83' ' ' VAL . 18.3 mt -121.17 123.6 42.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.254 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.922 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.0 t -105.05 136.9 19.11 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.071 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.84 123.33 8.31 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.497 2.131 . . . . 0.0 111.422 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 104' ' ' LEU . 12.0 tp -118.91 -51.33 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.698 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.457 ' HB ' HG13 ' A' ' 116' ' ' ILE . 24.2 m -159.31 124.11 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.966 0.412 . . . . 0.0 111.624 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.586 HG23 ' OG1' ' A' ' 115' ' ' THR . 62.6 m -118.28 112.63 20.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.796 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 6.4 mttt -134.81 148.98 50.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.572 HG22 ' HA ' ' A' ' 113' ' ' ARG . 21.2 t -107.5 129.25 61.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.02 115.86 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.458 ' HA2' ' HB2' ' A' ' 4' ' ' ALA . . . 79.2 2.2 86.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.936 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.95 27.32 5.99 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.526 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.502 ' C ' HG13 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -139.54 119.74 13.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.861 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.572 ' HA ' HG22 ' A' ' 108' ' ' VAL . 0.1 OUTLIER -59.28 141.01 55.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 37.8 t -140.64 104.19 4.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.586 ' OG1' HG23 ' A' ' 106' ' ' THR . 96.4 m -109.16 141.47 41.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.923 0.392 . . . . 0.0 111.215 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.476 HG22 ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -122.19 142.29 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.541 ' HB2' HD22 ' A' ' 101' ' ' LEU . 75.6 m -134.94 138.73 44.34 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.9 139.03 50.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.773 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.543 HG21 HG12 ' A' ' 77' ' ' VAL . 2.7 t -87.82 114.37 26.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.794 0.33 . . . . 0.0 110.351 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.13 150.09 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.478 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.748 ' HA ' HD23 ' A' ' 99' ' ' LEU . 11.6 tppt? -74.44 146.46 42.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.063 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.49 127.57 32.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.038 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.875 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.806 ' O ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -163.33 121.5 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.044 0.45 . . . . 0.0 111.036 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 61.72 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.191 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -50.99 -32.26 20.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.86 0.362 . . . . 0.0 111.236 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.6 m -81.02 -28.6 35.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.807 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mt 60.86 171.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.08 -32.22 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.67 118.22 6.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.723 HD13 ' OD2' ' A' ' 13' ' ' ASP . 55.9 mt -74.0 158.65 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 37.6 p -77.31 175.68 9.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -62.32 -32.66 73.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -32.05 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.723 ' OD2' HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -67.24 -52.07 45.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.816 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' CE1' ' HA ' ' A' ' 52' ' ' LEU . 82.8 m-85 -70.18 -26.8 64.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -73.31 -34.22 65.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.19 0.519 . . . . 0.0 109.78 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.527 ' O ' HG13 ' A' ' 20' ' ' VAL . 70.4 t80 -61.75 -36.69 81.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.133 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.881 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -68.28 -33.6 74.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.619 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -35.92 68.21 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.64 -47.06 20.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.216 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.775 HG22 ' HA ' ' A' ' 17' ' ' LEU . 3.9 m -63.83 -33.31 61.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.136 0 CA-C-O 120.98 0.419 . . . . 0.0 110.496 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.034 HD21 HD12 ' A' ' 68' ' ' LEU . 45.0 mt -79.68 -13.76 59.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.816 178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.42 -24.12 18.16 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.043 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.438 ' SG ' HG12 ' A' ' 84' ' ' VAL . 14.2 p -47.54 170.98 0.01 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.775 0.321 . . . . 0.0 111.105 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.821 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -107.66 -29.14 9.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.228 -179.748 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.486 ' HB2' ' CG2' ' A' ' 77' ' ' VAL . . . -131.77 143.95 50.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 111.542 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.796 HG11 ' CE2' ' A' ' 71' ' ' PHE . 21.9 t -132.78 112.71 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.497 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.887 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -158.12 137.41 11.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.389 -179.448 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 p -69.62 143.13 53.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -58.12 -42.19 85.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.5 mmt -51.92 -29.39 19.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.964 0.411 . . . . 0.0 111.012 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -152.94 66.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.493 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.887 HD23 ' HB3' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -64.1 -18.01 63.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.47 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.21 12.6 36.65 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.56 141.94 7.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.924 0.392 . . . . 0.0 111.587 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.81 ' HB2' ' NH2' ' A' ' 27' ' ' ARG . . . -80.17 177.44 8.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.859 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HB3' ' HG2' ' A' ' 40' ' ' GLN . 5.1 mp -90.85 -66.93 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.621 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -171.73 167.27 6.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.693 179.657 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.0 m -57.1 -53.04 62.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.779 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.408 ' CE2' ' OE1' ' A' ' 40' ' ' GLN . 51.9 p90 -74.9 -34.28 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.421 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -55.28 -52.86 62.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.019 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 37' ' ' THR . 57.5 t -55.87 -42.33 70.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.816 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.31 83.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.742 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -57.09 -47.48 80.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.418 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.594 ' HA ' HD12 ' A' ' 47' ' ' ILE . 55.5 t80 -67.83 -40.57 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.106 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' HB3' HD23 ' A' ' 68' ' ' LEU . 23.2 mtm105 -63.1 -32.04 73.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.474 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -68.16 -33.38 74.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.55 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 44' ' ' TYR . 54.9 mt -58.51 -60.87 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.533 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.958 HD21 HG21 ' A' ' 109' ' ' VAL . 10.0 mt -64.13 -44.37 92.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.386 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.816 ' HA ' HD21 ' A' ' 52' ' ' LEU . 1.8 t30 -52.45 -31.33 34.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.66 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -75.61 -27.96 58.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.525 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.465 ' OG ' HD12 ' A' ' 9' ' ' LEU . 11.9 t -73.37 -35.33 65.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.816 HD21 ' HA ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER -74.5 -53.24 9.86 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.506 ' HB3' ' HE3' ' A' ' 65' ' ' MET . 1.6 pt20 -46.41 -25.57 0.68 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -91.25 22.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 8.6 t70 -80.12 168.01 19.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.827 0.346 . . . . 0.0 110.702 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -69.74 -34.31 73.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -107.14 110.36 22.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -34.1 77.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.59 91.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.33 -32.33 70.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.2 m -62.19 -38.33 88.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -38.91 84.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.1 mtm-85 -60.28 -40.08 89.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.521 HD12 ' CB ' ' A' ' 52' ' ' LEU . 1.1 mt -70.14 -36.8 75.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.506 ' HE3' ' HB3' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -59.4 -35.17 73.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.35 -33.37 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.331 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.491 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -67.93 -30.76 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.261 179.506 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.034 HD12 HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -76.4 -28.32 56.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.516 179.518 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.39 -25.09 33.42 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.036 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.778 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -104.84 16.84 25.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.249 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.796 ' CE2' HG11 ' A' ' 26' ' ' VAL . 15.5 t80 -60.86 130.6 47.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.72 66.35 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.055 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.778 HG13 ' O ' ' A' ' 70' ' ' ASP . 3.9 m -103.83 155.74 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -76.84 89.88 3.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -142.28 160.02 41.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -89.57 124.81 34.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.821 HG22 ' HB3' ' A' ' 24' ' ' ARG . 23.9 t -81.56 141.65 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.78 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.72 161.41 22.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.349 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.436 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.17 149.8 40.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.135 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.21 -31.15 6.17 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.02 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -75.1 -158.13 0.07 Allowed 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.432 ' HG2' HD22 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -150.2 157.67 43.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.102 0.477 . . . . 0.0 111.4 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.587 HG23 HD21 ' A' ' 101' ' ' LEU . 92.6 t -126.99 119.73 53.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.334 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.614 HG12 HG22 ' A' ' 26' ' ' VAL . 10.0 p -92.72 118.74 39.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.234 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.724 HG13 ' O ' ' A' ' 27' ' ' ARG . 11.6 t -94.75 133.21 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.403 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mt -67.89 -17.97 23.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.714 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.626 ' H ' HG12 ' A' ' 85' ' ' VAL . 9.2 t0 -104.61 -43.91 5.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.85 0.357 . . . . 0.0 110.139 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.512 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.33 -172.88 22.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.669 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.874 ' O ' HG21 ' A' ' 115' ' ' THR . 14.6 tp -177.88 136.78 0.18 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.724 0.297 . . . . 0.0 110.487 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -140.46 48.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.717 0.294 . . . . 0.0 111.334 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.99 160.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.033 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.935 ' HG3' HG22 ' A' ' 102' ' ' VAL . 3.4 ttt -67.58 123.74 21.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.315 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -134.1 126.23 29.65 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.87 ' HA ' HG12 ' A' ' 100' ' ' VAL . 16.1 t-80 -60.11 145.28 47.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CE2' ' HB ' ' A' ' 77' ' ' VAL . 84.0 t80 -123.56 -27.45 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.398 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.61 144.42 0.17 Allowed 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.672 0.273 . . . . 0.0 111.169 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 48.56 -89.77 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.7 OUTLIER -139.66 11.34 2.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.641 0.258 . . . . 0.0 111.406 179.64 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 121' ' ' LYS . 43.0 mt -93.9 121.76 35.69 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.781 0.324 . . . . 0.0 110.197 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.87 HG12 ' HA ' ' A' ' 94' ' ' HIS . 28.8 m -110.11 175.23 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.288 0.566 . . . . 0.0 111.597 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.587 HD21 HG23 ' A' ' 83' ' ' VAL . 16.1 mt -118.2 123.33 45.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.127 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.935 HG22 ' HG3' ' A' ' 92' ' ' MET . 18.9 t -106.41 135.22 19.52 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.65 123.51 8.34 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.5 2.133 . . . . 0.0 111.468 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' A' ' 118' ' ' ASP . 3.0 tp -117.67 -51.75 2.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.987 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.1 m -156.04 128.53 7.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.936 0.398 . . . . 0.0 112.062 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 89.9 m -117.85 104.94 11.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.5 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 9.8 ttmt -121.71 125.93 47.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.31 137.3 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.958 HG21 HD21 ' A' ' 48' ' ' LEU . 14.9 m -136.4 117.49 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.231 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.3 44.39 95.1 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.98 26.81 74.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.558 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.09 140.63 45.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.316 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.417 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 11.7 mtm-85 -81.58 140.17 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 17.7 t -140.62 93.94 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.767 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.874 HG21 ' O ' ' A' ' 89' ' ' LEU . 89.2 m -99.67 144.8 28.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.085 0.469 . . . . 0.0 111.344 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.6 HG23 ' HB3' ' A' ' 104' ' ' LEU . 3.3 tt -122.65 137.23 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.38 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.723 ' SG ' HD23 ' A' ' 89' ' ' LEU . 66.2 m -128.33 142.22 51.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -178.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.657 ' HB2' HD13 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -75.21 141.65 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.816 178.645 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 4.1 t -93.39 110.7 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.797 0.332 . . . . 0.0 110.376 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.14 151.2 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.475 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.559 ' HA ' HD23 ' A' ' 99' ' ' LEU . 5.2 ttmt -74.56 150.66 39.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.976 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -70.1 104.42 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.961 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.663 ' O ' HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER 59.83 172.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.48 -36.57 45.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.79 -27.1 11.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 2' ' ' LEU . 6.6 t -57.73 -23.04 49.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.4 mt 61.79 31.61 18.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.649 ' H ' HG23 ' A' ' 5' ' ' THR . . . 60.12 60.32 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . 71.45 110.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.699 HD13 ' OD2' ' A' ' 13' ' ' ASP . 41.2 mt -57.32 138.84 54.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.045 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.9 p -80.14 175.26 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.013 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -30.06 69.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.84 -31.31 66.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.699 ' OD2' HD13 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -63.93 -52.16 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.943 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.517 ' HE2' ' HA ' ' A' ' 52' ' ' LEU . 94.5 m-85 -72.77 -28.32 62.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.985 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -36.63 62.02 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -63.12 -36.55 83.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.092 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -63.59 -37.93 89.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.62 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -33.48 67.93 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.67 -49.24 14.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.496 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.998 HG23 HG21 ' A' ' 84' ' ' VAL . 6.9 p -54.38 -30.48 21.3 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-O 120.822 0.344 . . . . 0.0 111.249 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.651 HD22 ' HA ' ' A' ' 68' ' ' LEU . 75.2 mt -85.46 -35.8 21.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.688 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -21.1 62.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.793 ' SG ' HD11 ' A' ' 116' ' ' ILE . 33.7 m -55.2 162.25 1.49 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.42 -31.92 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -127.28 145.07 50.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.943 0.401 . . . . 0.0 111.455 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.799 HG11 ' CE2' ' A' ' 71' ' ' PHE . 22.5 t -132.4 107.4 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.729 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.898 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -140.04 -175.55 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.686 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.753 ' HB2' HD11 ' A' ' 86' ' ' ILE . 1.6 t -111.63 145.18 39.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -65.35 -41.77 93.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.591 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.52 -27.03 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.67 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -153.63 69.79 0.82 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.802 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.898 HD23 ' HB3' ' A' ' 27' ' ' ARG . 5.3 mt -70.65 -18.07 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -76.39 -27.65 56.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.504 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -142.56 144.19 32.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 111.61 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.59 177.53 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 37' ' ' THR . 4.7 mp -86.28 -66.79 0.86 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.97 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER 176.28 165.85 0.43 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.726 179.53 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.6 t -55.35 -45.66 76.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.638 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.91 -34.56 62.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.635 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' NE2' HD23 ' A' ' 36' ' ' LEU . 5.0 mm-40 -61.08 -46.0 92.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 37' ' ' THR . 28.7 t -71.75 -38.29 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.96 95.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.068 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -57.13 -39.39 75.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.593 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.876 ' HA ' HD12 ' A' ' 47' ' ' ILE . 14.0 t80 -74.99 -38.22 61.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.48 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HB3' HD21 ' A' ' 68' ' ' LEU . 33.4 mtm180 -59.52 -46.79 87.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.791 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.14 -32.81 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.399 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 44' ' ' TYR . 54.1 mt -58.22 -61.58 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.194 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.791 HD12 HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -68.83 -38.32 79.76 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.399 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.617 ' HA ' HD21 ' A' ' 52' ' ' LEU . 10.0 t30 -57.33 -33.19 67.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.149 0.5 . . . . 0.0 109.858 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.607 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -71.12 -27.25 63.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.103 178.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -40.99 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.61 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.617 HD21 ' HA ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -76.24 -23.9 54.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.223 0.535 . . . . 0.0 110.978 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.607 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -49.71 -45.02 48.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.999 -179.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.1 m -88.26 22.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.136 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -73.81 139.84 45.42 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.766 0.317 . . . . 0.0 110.799 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -63.63 -31.08 72.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -90.97 101.1 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.68 -39.32 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.42 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -33.99 73.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 t -58.86 -49.53 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -35.92 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -43.93 94.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.685 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 64' ' ' LEU . 2.1 mt -70.13 -34.25 72.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.757 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.526 ' HE2' HD11 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -65.44 -31.71 72.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.71 -39.46 27.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.482 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.637 ' HB2' HD13 ' A' ' 21' ' ' LEU . 13.7 mtpt -74.47 -37.94 63.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.319 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.824 ' O ' HD23 ' A' ' 68' ' ' LEU . 6.4 tt -76.89 -20.4 56.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.784 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -55.27 -27.53 47.21 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.744 ' CG ' HG22 ' A' ' 73' ' ' VAL . 5.7 t0 -109.69 -34.62 6.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.801 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.799 ' CE2' HG11 ' A' ' 26' ' ' VAL . 5.0 t80 48.05 -85.55 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.752 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.543 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -88.34 89.19 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 111.024 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.744 HG22 ' CG ' ' A' ' 70' ' ' ASP . 3.2 t -103.19 140.23 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.134 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.7 89.88 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.742 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -134.22 139.82 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.71 122.71 17.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.771 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.562 HG21 ' CZ ' ' A' ' 95' ' ' PHE . 5.8 t -81.5 155.46 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.58 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.16 163.03 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.525 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.401 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -64.7 149.78 48.46 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.14 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.22 -31.15 6.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.114 -178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.71 -159.97 0.32 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 178.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.414 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 4.2 mtm180 -148.65 156.43 42.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.11 0.481 . . . . 0.0 111.586 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.63 HG23 HD21 ' A' ' 101' ' ' LEU . 61.4 t -121.33 127.51 75.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.174 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.998 HG21 HG23 ' A' ' 20' ' ' VAL . 11.4 p -92.83 133.99 32.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.439 . . . . 0.0 111.601 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.59 HG11 ' HB2' ' A' ' 29' ' ' ALA . 4.1 t -116.14 111.87 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.747 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.753 HD11 ' HB2' ' A' ' 28' ' ' SER . 37.2 pt -53.93 -22.03 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.163 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.641 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 11.4 t0 -95.42 -44.19 7.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.068 0.461 . . . . 0.0 109.899 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.537 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.85 -173.52 21.8 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.335 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.843 ' O ' HG21 ' A' ' 115' ' ' THR . 3.9 mt -177.92 119.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.715 0.293 . . . . 0.0 110.573 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -126.11 40.88 3.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.344 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.439 HH11 HD23 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -177.18 154.71 1.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.945 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.2 ttt -57.4 126.58 27.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.68 126.48 22.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.835 ' HA ' HG12 ' A' ' 100' ' ' VAL . 29.2 t-80 -55.27 149.02 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.965 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 91.4 t80 -129.2 -28.0 2.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.441 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 98' ' ' ASP . 16.9 ttpt 179.69 143.74 0.16 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.698 0.285 . . . . 0.0 111.167 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.58 -89.43 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.0 m-20 -140.01 15.14 2.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.683 0.277 . . . . 0.0 111.143 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.783 HD23 ' HA ' ' A' ' 121' ' ' LYS . 47.0 mt -97.78 125.0 42.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.18 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.835 HG12 ' HA ' ' A' ' 94' ' ' HIS . 30.7 m -109.95 177.92 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.388 0.613 . . . . 0.0 111.757 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.63 HD21 HG23 ' A' ' 83' ' ' VAL . 17.0 mt -122.25 123.39 41.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.235 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.945 HG22 ' HG3' ' A' ' 92' ' ' MET . 18.9 t -105.66 135.31 19.4 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.67 123.37 8.17 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.477 2.118 . . . . 0.0 111.604 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.614 ' HB3' HG22 ' A' ' 116' ' ' ILE . 0.5 OUTLIER -119.81 -51.65 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.641 -179.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.4 m -154.61 123.74 6.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.113 0.482 . . . . 0.0 111.93 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.677 HG23 ' OG1' ' A' ' 115' ' ' THR . 21.0 m -116.4 111.03 19.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.764 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -131.71 119.94 22.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.1 t -77.57 120.16 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.068 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.2 m -116.09 121.6 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.33 -65.79 0.99 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.53 35.15 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.434 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.41 125.38 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.37 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 9.0 mtm180 -64.92 112.43 3.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.73 94.63 5.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.843 HG21 ' O ' ' A' ' 89' ' ' LEU . 99.3 m -96.86 142.56 28.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 110.841 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.793 HD11 ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -117.76 140.21 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.536 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.603 ' HB2' HD22 ' A' ' 101' ' ' LEU . 70.2 m -135.66 138.98 43.38 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.414 ' HA ' ' HG3' ' A' ' 82' ' ' ARG . 21.4 t0 -72.43 138.36 47.08 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.034 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 2.2 t -87.94 112.63 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.402 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.86 147.24 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.924 0.393 . . . . 0.0 111.487 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.783 ' HA ' HD23 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -74.56 151.73 39.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.169 -179.73 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.4 146.12 27.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.879 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.466 ' O ' HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER 60.9 177.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -45.47 -39.22 6.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.539 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.691 ' O ' HD12 ' A' ' 6' ' ' LEU . . . -55.78 -21.95 21.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.813 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 2' ' ' LEU . 1.9 t -67.27 -46.7 72.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.32 . . . . 0.0 110.814 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.691 HD12 ' O ' ' A' ' 4' ' ' ALA . 1.2 mp 60.42 153.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.211 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 59.04 20.19 8.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.671 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . 173.02 160.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.868 0.365 . . . . 0.0 111.355 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.701 HD13 ' OD1' ' A' ' 13' ' ' ASP . 67.8 mt -134.53 133.77 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.788 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.1 p -69.8 173.95 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.03 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -31.11 69.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.53 -31.35 67.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.701 ' OD1' HD13 ' A' ' 9' ' ' LEU . 3.4 t70 -66.47 -52.13 49.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -59.47 -26.95 65.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.731 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -73.43 -33.37 64.91 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.616 ' O ' HG13 ' A' ' 20' ' ' VAL . 78.0 t80 -63.31 -36.8 84.89 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.088 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.739 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.49 -40.34 96.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.221 179.529 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.4 m -54.89 -33.76 62.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.6 -46.38 22.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.166 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 16' ' ' PHE . 2.6 m -58.97 -46.11 91.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-O 120.838 0.351 . . . . 0.0 110.715 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.776 HD13 ' HB2' ' A' ' 67' ' ' LYS . 57.6 mt -66.81 -18.61 65.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.879 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -83.25 -28.62 29.05 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.736 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.462 ' SG ' HG21 ' A' ' 116' ' ' ILE . 78.0 m -46.22 170.12 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.854 0.359 . . . . 0.0 111.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.837 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -101.15 -52.21 3.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.233 -179.653 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.601 ' HB2' ' CG2' ' A' ' 77' ' ' VAL . . . -116.28 140.24 49.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 111.302 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -117.42 107.4 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.906 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 0.7 OUTLIER -135.47 174.75 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.407 ' O ' HD12 ' A' ' 32' ' ' LEU . 4.7 t -113.19 150.07 32.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.722 ' HB3' ' CB ' ' A' ' 87' ' ' ASP . . . -65.11 -48.11 74.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.638 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -53.65 -27.12 25.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.793 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.549 ' OD1' ' HB3' ' A' ' 34' ' ' ALA . 3.5 t-20 -158.85 75.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.586 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 85' ' ' VAL . 0.6 OUTLIER -76.02 -17.94 59.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.517 -179.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.01 12.43 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.52 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.549 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -178.19 140.34 0.22 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.799 0.333 . . . . 0.0 111.197 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.39 177.54 2.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD22 ' HG2' ' A' ' 40' ' ' GLN . 5.2 mp -90.84 -66.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.942 0.401 . . . . 0.0 111.007 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -171.9 160.21 5.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.717 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -45.86 78.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.442 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.08 -34.42 61.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.554 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.546 ' HG2' HD22 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -58.66 -57.23 13.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.013 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 37' ' ' THR . 33.2 t -55.86 -34.99 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.051 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.14 89.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.46 ' O ' HG13 ' A' ' 47' ' ' ILE . 90.7 mt-30 -57.07 -45.22 83.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.386 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -68.72 -38.54 80.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.443 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtm180 -62.25 -32.53 73.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -27.13 61.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.615 HG22 HG12 ' A' ' 109' ' ' VAL . 9.8 mt -62.69 -61.05 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.739 ' HB3' HD21 ' A' ' 17' ' ' LEU . 3.2 mt -67.23 -35.91 80.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.681 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.19 -35.69 77.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.651 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -69.91 -27.92 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.029 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -33.17 73.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.046 0.45 . . . . 0.0 110.721 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.733 HD12 ' HG2' ' A' ' 65' ' ' MET . 1.0 OUTLIER -61.9 -56.69 16.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.823 -179.299 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -50.06 -25.32 3.32 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.23 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 50' ' ' ALA . 1.3 m -104.11 22.36 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.323 . . . . 0.0 111.445 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -87.79 164.58 15.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.691 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -79.91 -30.89 40.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -102.51 99.64 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.17 84.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.09 76.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -32.22 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m -59.97 -39.86 87.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -52.1 -36.88 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -48.61 78.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.719 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.13 -34.26 72.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.733 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -64.71 -34.0 77.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.116 -179.744 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.7 -40.52 25.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.957 0.408 . . . . 0.0 110.581 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.776 ' HB2' HD13 ' A' ' 21' ' ' LEU . 3.1 mtpp -72.93 -32.9 65.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.403 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 tt -76.91 -18.95 57.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.74 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -26.52 39.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.888 0.375 . . . . 0.0 110.992 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.705 ' CG ' HG22 ' A' ' 73' ' ' VAL . 3.8 t0 -111.51 -34.58 6.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.751 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.6 t80 48.7 -84.24 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.98 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 70' ' ' ASP . . . -90.97 89.64 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.705 HG22 ' CG ' ' A' ' 70' ' ' ASP . 2.3 t -104.89 155.47 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.71 90.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -125.66 139.87 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.017 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.55 120.17 20.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.67 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.837 HG22 ' HB3' ' A' ' 24' ' ' ARG . 18.7 t -92.46 138.62 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.203 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -145.51 -159.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.419 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.461 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -77.08 143.99 38.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.234 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 97.37 -31.03 8.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.332 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -83.65 -158.04 0.28 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.1 156.61 33.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.13 0.491 . . . . 0.0 111.418 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.555 ' CG2' HD21 ' A' ' 101' ' ' LEU . 61.9 t -116.04 121.02 66.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.579 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 84' ' ' VAL . 8.2 p -92.76 119.14 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.993 0.425 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.612 HG11 ' HB2' ' A' ' 29' ' ' ALA . 2.7 t -98.16 121.72 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.873 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mt -56.88 -19.88 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.423 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.722 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -101.62 -44.17 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.111 0.481 . . . . 0.0 109.762 179.132 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.61 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.22 -170.93 23.05 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.371 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.833 ' O ' HG21 ' A' ' 115' ' ' THR . 19.2 tp -177.9 111.14 0.07 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 111.012 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.91 51.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.137 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.24 156.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.132 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.909 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -67.49 118.25 10.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -134.42 126.1 28.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.854 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.723 ' HA ' HG12 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -56.29 152.37 11.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.083 0.468 . . . . 0.0 111.22 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -122.83 -26.6 4.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.203 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 98' ' ' ASP . 22.5 ttpt 179.43 148.4 0.25 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.642 0.258 . . . . 0.0 110.77 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 49.1 -90.2 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 96' ' ' LYS . 27.9 m-20 -139.43 4.28 2.17 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 121' ' ' LYS . 21.3 mt -84.66 138.95 32.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.723 HG12 ' HA ' ' A' ' 94' ' ' HIS . 32.0 m -121.41 171.43 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.663 0.744 . . . . 0.0 112.428 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.555 HD21 ' CG2' ' A' ' 83' ' ' VAL . 21.0 mt -114.1 123.67 50.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.991 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.909 HG22 ' HG3' ' A' ' 92' ' ' MET . 20.8 t -109.75 136.13 20.36 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.288 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -47.9 122.87 7.74 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.586 2.191 . . . . 0.0 111.59 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 tp -124.3 -39.63 2.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.483 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.591 ' HB ' HG13 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -152.12 150.79 30.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.924 -179.652 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.479 HG23 ' OG1' ' A' ' 115' ' ' THR . 86.3 m -147.81 106.72 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.434 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -130.51 133.87 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.061 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.574 HG22 ' CG ' ' A' ' 113' ' ' ARG . 20.9 t -100.4 141.8 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.119 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.71 HG11 HD22 ' A' ' 48' ' ' LEU . 20.9 t -142.47 115.39 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.223 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.21 29.08 69.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.51 5.27 84.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.814 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.523 ' C ' HG13 ' A' ' 108' ' ' VAL . 44.7 m -116.23 122.75 45.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.798 0.333 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.574 ' CG ' HG22 ' A' ' 108' ' ' VAL . 2.9 mtt-85 -70.19 148.94 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.9 t -140.59 93.21 2.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.66 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.833 HG21 ' O ' ' A' ' 89' ' ' LEU . 63.0 m -103.49 143.76 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.115 0.483 . . . . 0.0 111.365 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -121.3 141.96 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.365 178.225 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.691 ' SG ' HD23 ' A' ' 89' ' ' LEU . 84.7 m -131.91 133.67 44.83 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.74 136.11 50.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.092 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 78' ' ' THR . 2.1 t -86.4 113.68 24.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.777 0.322 . . . . 0.0 110.319 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.0 146.14 34.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.979 0.419 . . . . 0.0 111.555 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.67 ' HA ' HD23 ' A' ' 99' ' ' LEU . 3.7 ttmm -74.56 136.84 42.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.126 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -81.62 123.33 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.808 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.992 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.549 -0.221 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -132.7 112.24 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.386 . . . . 0.0 110.94 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 66.91 -64.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.256 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -46.2 -29.59 1.64 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.495 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 t -60.28 -33.33 72.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.752 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.554 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 0.4 OUTLIER 60.92 112.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.043 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . 76.79 134.53 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.81 73.22 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 3.4 mt -73.45 144.44 46.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.147 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.7 p -99.17 -178.9 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -52.62 -29.84 28.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.41 -31.29 67.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 12.1 t70 -58.81 -50.37 74.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.403 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 6.4 m-85 -62.26 -26.61 68.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.13 -34.25 74.73 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 20' ' ' VAL . 26.4 t80 -62.62 -36.73 83.71 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.827 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.646 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -68.36 -34.81 76.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.46 179.544 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.4 t -55.05 -36.54 65.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.23 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.05 -39.3 50.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.506 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.781 HG13 HG21 ' A' ' 84' ' ' VAL . 48.7 t -60.39 -52.08 65.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.914 0.388 . . . . 0.0 110.242 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 67' ' ' LYS . 5.7 mt -61.66 -20.04 62.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.012 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.66 -21.78 32.34 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.012 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 13.2 p -44.9 162.99 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 111.269 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.628 ' HB3' HG22 ' A' ' 77' ' ' VAL . 2.3 mpt_? -101.8 -30.81 11.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.64 144.45 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.354 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.575 HG11 ' CE2' ' A' ' 71' ' ' PHE . 40.7 t -121.82 127.69 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.735 ' HB3' HD23 ' A' ' 32' ' ' LEU . 4.7 mmt-85 -148.4 -176.04 5.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.797 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.589 ' OG ' HD11 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -114.95 139.38 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.75 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -66.06 -45.03 82.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.49 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -57.39 -26.29 60.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.723 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.72 66.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.653 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 27' ' ' ARG . 1.0 OUTLIER -70.78 -18.23 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.202 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -77.38 -4.02 43.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.486 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -169.93 136.43 1.52 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.819 0.342 . . . . 0.0 111.365 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.56 177.51 2.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.746 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 36' ' ' LEU . 4.1 mp -87.61 -66.93 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.94 0.4 . . . . 0.0 111.076 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.23 149.99 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.609 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.18 -42.29 29.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -74.94 -34.53 62.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.482 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.527 ' HG2' ' HB3' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -60.23 -58.81 6.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.054 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.82 HG11 ' CB ' ' A' ' 72' ' ' ALA . 46.0 t -61.6 -37.59 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.42 -48.71 79.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.738 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -57.16 -36.74 71.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.025 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.624 ' HA ' HD12 ' A' ' 47' ' ' ILE . 18.9 t80 -70.91 -35.01 72.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.995 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.417 ' HG3' ' CD2' ' A' ' 71' ' ' PHE . 10.7 mtp180 -62.87 -37.41 86.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.553 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -34.5 77.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.704 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 44' ' ' TYR . 77.7 mt -54.89 -60.96 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.646 ' HB3' HD21 ' A' ' 17' ' ' LEU . 8.8 mt -60.89 -37.82 83.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.222 0.534 . . . . 0.0 109.801 178.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.66 -35.59 72.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.221 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.419 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -65.38 -27.98 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.449 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.14 -33.42 75.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.519 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.886 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.04 -23.89 58.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.361 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -67.23 -62.69 1.3 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.33 -178.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -61.05 -19.36 19.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.62 -178.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' OD2' ' CZ ' ' A' ' 14' ' ' PHE . 14.3 t70 -47.93 148.73 1.56 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.775 0.321 . . . . 0.0 111.244 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -73.54 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.9 95.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.93 71.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.12 -50.32 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -31.95 71.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.9 p -56.34 -44.75 80.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -52.39 -33.89 45.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.332 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -57.38 -47.44 81.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.382 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.886 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.22 -34.29 72.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.503 179.742 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.844 ' HG2' HD12 ' A' ' 52' ' ' LEU . 4.0 mtt -61.42 -30.05 70.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.5 -34.88 40.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.416 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HB2' HD13 ' A' ' 21' ' ' LEU . 6.9 mtpt -69.63 -30.04 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.164 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.414 HD11 ' O ' ' A' ' 45' ' ' ARG . 5.2 tt -76.76 -25.69 53.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.623 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.95 -30.9 62.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.49 16.88 18.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.225 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.583 ' HE1' HG12 ' A' ' 20' ' ' VAL . 24.7 t80 -71.11 139.54 50.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.362 . . . . 0.0 111.267 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.82 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 59.85 31.05 20.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.577 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 74' ' ' GLU . 92.9 t -100.49 155.76 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.858 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' HG12 ' A' ' 73' ' ' VAL . 11.0 mt-10 -69.16 93.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.917 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -123.61 148.33 46.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.74 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -76.52 120.52 21.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.03 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 24' ' ' ARG . 46.8 t -81.59 158.45 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.49 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -155.31 159.21 39.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.198 -179.278 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.83 149.86 46.05 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.156 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.08 -31.01 6.56 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.024 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -158.09 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.484 ' HB3' HG12 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -148.15 153.91 39.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.049 0.452 . . . . 0.0 111.67 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.404 HG23 HG22 ' A' ' 119' ' ' VAL . 46.2 t -114.93 119.97 63.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.32 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.781 HG21 HG13 ' A' ' 20' ' ' VAL . 14.5 p -95.91 127.29 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.994 0.426 . . . . 0.0 111.49 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.679 HG11 ' HB2' ' A' ' 29' ' ' ALA . 2.4 t -109.76 131.0 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.71 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 28' ' ' SER . 35.2 pt -70.6 -10.17 13.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 7.3 m-20 -109.21 -44.59 3.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.979 0.419 . . . . 0.0 110.184 179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.489 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 135.91 -174.88 21.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.56 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.85 ' O ' HG21 ' A' ' 115' ' ' THR . 16.3 tp -177.92 106.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 110.649 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -99.59 -26.01 14.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.73 153.04 21.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.428 ' SD ' HG22 ' A' ' 102' ' ' VAL . 30.2 ttp -70.05 135.31 49.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -145.57 150.43 36.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.305 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.4 OUTLIER -83.73 152.5 24.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.947 0.403 . . . . 0.0 110.859 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.627 ' HB2' HD21 ' A' ' 101' ' ' LEU . 50.2 t80 -109.47 -30.97 7.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 98' ' ' ASP . 17.5 pttp 178.98 154.73 0.43 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.787 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 46.25 -88.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.029 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 96' ' ' LYS . 12.0 m-20 -141.0 4.19 1.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.458 HD22 HG12 ' A' ' 119' ' ' VAL . 14.5 mt -74.62 119.57 19.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.585 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -110.18 137.66 41.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.066 0.46 . . . . 0.0 111.404 -179.414 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 95' ' ' PHE . 1.5 mt -97.73 123.72 41.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.478 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.428 HG22 ' SD ' ' A' ' 92' ' ' MET . 22.0 t -107.74 137.43 19.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.409 ' HD2' HG13 ' A' ' 102' ' ' VAL . 5.5 Cg_endo -47.41 123.57 8.13 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.689 2.259 . . . . 0.0 112.018 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.653 ' HB3' HG23 ' A' ' 116' ' ' ILE . 1.5 tp -118.71 -51.38 2.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.653 -179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.502 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.4 m -154.16 127.47 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.943 0.401 . . . . 0.0 111.819 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.466 HG23 ' OG1' ' A' ' 115' ' ' THR . 91.7 m -119.85 104.54 10.29 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.769 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.454 ' HB3' ' CE2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -130.77 147.74 52.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.5 t -106.05 140.82 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' A' ' 48' ' ' LEU . 7.2 p -142.64 130.2 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.28 -62.06 3.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.12 41.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -163.82 133.37 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 146.11 49.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 7.0 m -140.51 98.56 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.199 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.85 HG21 ' O ' ' A' ' 89' ' ' LEU . 97.7 m -103.56 143.52 32.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.353 . . . . 0.0 110.992 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.653 HG23 ' HB3' ' A' ' 104' ' ' LEU . 3.9 tt -122.73 141.69 42.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.998 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.615 ' SG ' HD23 ' A' ' 89' ' ' LEU . 61.0 m -134.21 138.1 44.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 112.057 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -68.16 148.81 50.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.867 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.458 HG12 HD22 ' A' ' 99' ' ' LEU . 2.4 t -97.1 103.05 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.031 0.444 . . . . 0.0 110.594 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -127.06 139.77 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.967 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -74.5 130.67 40.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.55 98.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.9 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.805 ' O ' HG22 ' A' ' 5' ' ' THR . 0.2 OUTLIER 60.4 -179.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.818 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -47.16 -38.56 11.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.096 0.474 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.63 -29.26 17.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.346 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.805 HG22 ' O ' ' A' ' 2' ' ' LEU . 4.8 t -68.0 -20.49 65.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.812 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.526 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 1.6 mt 64.34 86.01 0.13 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 75.65 -70.24 0.15 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.718 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . 170.48 131.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.052 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.782 HD22 ' OD2' ' A' ' 13' ' ' ASP . 38.2 mt -111.68 135.16 52.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.607 HG23 ' H ' ' A' ' 12' ' ' ASP . 9.7 t -103.17 -178.95 3.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.826 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.04 -28.13 16.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.607 ' H ' HG23 ' A' ' 10' ' ' THR . 8.0 t70 -63.43 -42.38 98.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.782 ' OD2' HD22 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -59.58 -52.14 66.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.815 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 38.5 m-85 -67.79 -26.87 66.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.711 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -34.02 66.58 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' O ' HG23 ' A' ' 20' ' ' VAL . 82.4 t80 -62.3 -36.77 83.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.06 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.614 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.3 -40.17 95.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.325 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -35.05 63.56 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.942 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -77.1 -37.83 53.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.231 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.632 HG13 HG21 ' A' ' 84' ' ' VAL . 45.4 t -64.83 -58.53 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.39 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 67' ' ' LYS . 42.9 mt -58.43 -23.5 57.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.839 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.21 -32.05 64.54 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.522 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 m -48.64 176.83 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.27 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.702 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -106.22 -62.96 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.26 140.06 49.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.754 HG21 ' CZ ' ' A' ' 71' ' ' PHE . 1.5 p -124.19 126.32 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.073 0.464 . . . . 0.0 111.246 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.713 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -143.98 -176.49 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.534 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.445 ' N ' HD12 ' A' ' 86' ' ' ILE . 18.6 p -109.61 134.01 52.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.779 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.818 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -57.69 -43.99 85.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.764 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtp -54.82 -25.93 31.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.483 ' OD1' ' HB3' ' A' ' 34' ' ' ALA . 4.4 t-20 -155.65 67.33 0.63 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.572 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.713 HD23 ' CB ' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -68.37 -18.02 64.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.438 -179.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -88.34 12.42 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -178.61 141.6 0.21 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.918 0.389 . . . . 0.0 111.633 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.08 177.53 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.731 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.569 HD22 ' HG2' ' A' ' 40' ' ' GLN . 4.9 mp -85.31 -67.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.743 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.883 HG22 ' HB2' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -179.64 -177.28 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.847 178.653 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 37' ' ' THR . 1.3 m -55.8 -76.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.498 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.697 ' CE2' HG21 ' A' ' 37' ' ' THR . 38.0 p90 -52.79 -37.65 60.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.659 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.883 ' HB2' HG22 ' A' ' 37' ' ' THR . 0.0 OUTLIER -55.25 -59.01 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.177 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.452 HG11 HH21 ' A' ' 45' ' ' ARG . 87.4 t -56.97 -39.6 66.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.911 0.386 . . . . 0.0 110.648 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.51 72.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.783 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.15 -56.35 22.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.43 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.501 ' HA ' HD12 ' A' ' 47' ' ' ILE . 3.0 t80 -58.92 -36.68 75.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.245 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.624 HH21 ' HB3' ' A' ' 72' ' ' ALA . 37.5 mtt180 -63.83 -33.83 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.503 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.68 -30.89 64.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 44' ' ' TYR . 64.5 mt -57.81 -61.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.738 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.652 ' N ' HD23 ' A' ' 48' ' ' LEU . 1.5 mt -68.45 -42.11 79.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.465 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -61.16 -30.4 70.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.673 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -72.12 -27.91 62.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.076 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 t -68.43 -33.23 73.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.018 0.437 . . . . 0.0 110.709 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.847 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.6 OUTLIER -61.98 -56.69 16.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.832 -179.277 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -49.31 -25.97 2.77 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.206 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 50' ' ' ALA . 1.8 m -105.06 22.33 2.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.745 0.307 . . . . 0.0 111.347 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 27.3 t0 -93.54 159.62 15.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.809 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -70.54 -45.71 64.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.82 94.73 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.81 -29.78 69.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -40.11 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -32.16 65.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.3 p -61.99 -48.93 78.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.069 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -53.42 -39.36 64.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.201 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -59.58 -40.85 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.964 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.623 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -70.3 -38.06 74.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.847 ' HG2' HD12 ' A' ' 52' ' ' LEU . 3.4 mtt -58.16 -31.37 67.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.046 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.48 -34.13 36.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.621 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.563 ' HB2' HD13 ' A' ' 21' ' ' LEU . 14.5 mtmt -73.18 -33.04 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.353 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 45' ' ' ARG . 7.2 tt -76.81 -21.55 54.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.833 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.26 -25.49 34.03 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.257 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -103.39 17.03 25.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.266 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.754 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 28.4 t80 -63.46 129.84 41.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.907 0.384 . . . . 0.0 111.378 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.624 ' HB3' HH21 ' A' ' 45' ' ' ARG . . . 66.53 36.14 5.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.621 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 74' ' ' GLU . 68.7 t -107.29 155.78 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.956 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' N ' HG12 ' A' ' 73' ' ' VAL . 1.8 mm-40 -69.37 91.66 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -118.5 139.64 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.771 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.33 111.84 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.702 HG22 ' HB3' ' A' ' 24' ' ' ARG . 48.0 t -81.45 157.55 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.475 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -154.74 160.1 41.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.333 -179.067 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -63.18 149.81 44.46 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.048 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.14 -31.22 6.44 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.18 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -70.44 -159.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -147.92 153.19 38.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.079 0.466 . . . . 0.0 111.512 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.68 121.64 68.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.279 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.732 HG13 HG23 ' A' ' 26' ' ' VAL . 1.5 p -92.77 126.27 45.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.034 0.445 . . . . 0.0 111.49 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 29' ' ' ALA . 16.4 t -108.2 117.33 53.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.911 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.68 HD12 ' C ' ' A' ' 27' ' ' ARG . 2.3 mt -57.93 -16.24 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.511 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -103.08 -44.23 5.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.172 0.51 . . . . 0.0 109.925 179.296 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.495 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.21 -164.37 25.06 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.219 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.868 HD23 ' SG ' ' A' ' 117' ' ' CYS . 12.6 tp -177.85 107.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.952 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -109.41 41.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.67 157.05 1.19 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.614 ' CE ' HG22 ' A' ' 102' ' ' VAL . 23.2 ttm -73.73 126.41 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.642 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.59 149.61 44.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.634 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.531 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -82.18 152.67 26.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.985 179.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.702 ' HB2' HD21 ' A' ' 101' ' ' LEU . 17.3 t80 -110.96 -35.3 5.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.178 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' ASP . 10.6 pttp 178.95 162.48 0.76 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 44.84 -90.41 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.8 m-20 -145.89 12.53 1.27 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.62 179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.763 HD22 HG12 ' A' ' 119' ' ' VAL . 13.4 mt -85.04 122.41 29.21 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.531 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -109.9 137.71 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.133 0.492 . . . . 0.0 111.467 -179.023 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 95' ' ' PHE . 0.6 OUTLIER -98.62 123.94 43.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.394 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.614 HG22 ' CE ' ' A' ' 92' ' ' MET . 19.1 t -108.41 131.75 21.56 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.103 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -46.88 123.38 7.2 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.152 1.901 . . . . 0.0 111.669 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.8 tp -121.83 -36.35 3.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.58 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' A' ' 115' ' ' THR . 42.4 m -163.15 150.85 13.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 111.458 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.662 HG23 ' OG1' ' A' ' 115' ' ' THR . 27.5 m -143.59 114.36 7.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.694 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.431 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 13.0 mttp -129.01 138.7 52.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.029 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.746 HG22 ' HG2' ' A' ' 113' ' ' ARG . 16.2 t -104.67 118.34 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.2 t -115.57 121.52 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.055 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.9 -75.68 1.68 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.567 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -165.26 30.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.424 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 m -149.14 132.47 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.746 ' HG2' HG22 ' A' ' 108' ' ' VAL . 5.8 mtm-85 -67.14 151.47 47.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 26.4 m -140.48 92.23 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.662 ' OG1' HG23 ' A' ' 106' ' ' THR . 87.7 m -100.36 141.53 33.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.277 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -123.54 141.97 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.392 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.7 178.414 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.868 ' SG ' HD23 ' A' ' 89' ' ' LEU . 41.6 m -132.13 135.22 46.25 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.988 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -63.09 147.07 51.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.221 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.763 HG12 HD22 ' A' ' 99' ' ' LEU . 3.1 t -94.97 103.03 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.952 0.406 . . . . 0.0 110.53 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.428 HG23 HG12 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -125.91 141.17 46.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.841 -179.462 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 135.56 42.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.959 0.409 . . . . 0.0 111.028 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.95 105.16 7.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.971 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.867 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.7 -81.76 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.728 0.299 . . . . 0.0 110.605 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.96 -50.88 7.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.024 0.44 . . . . 0.0 110.282 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.69 -26.49 14.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.614 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.65 ' O ' HG22 ' A' ' 5' ' ' THR . 86.9 m -109.23 33.48 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.288 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 6' ' ' LEU . 7.3 mt -52.09 -24.83 7.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.365 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.62 -54.39 18.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.55 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.559 ' O ' HG22 ' A' ' 5' ' ' THR . . . -167.77 -170.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.254 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.0 mt -120.92 148.44 44.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.2 t -87.69 -179.02 6.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.31 -30.87 69.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.9 -42.61 85.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.824 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -60.78 -52.08 66.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.631 ' HA ' HD23 ' A' ' 17' ' ' LEU . 21.4 m-85 -62.5 -26.77 68.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -76.43 -30.66 57.5 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.03 0.443 . . . . 0.0 110.113 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 15.6 t80 -72.41 -54.07 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.696 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.953 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -60.67 -36.9 79.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.72 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.519 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 3.3 p -59.56 -32.86 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.155 0.502 . . . . 0.0 109.817 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.36 -26.72 52.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.155 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.953 HG22 ' O ' ' A' ' 17' ' ' LEU . 4.4 m -70.28 -30.71 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.096 0 C-N-CA 120.374 -0.531 . . . . 0.0 110.193 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 68' ' ' LEU . 5.2 mt -74.8 -23.45 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -80.37 -23.06 40.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.681 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.682 ' SG ' HG12 ' A' ' 84' ' ' VAL . 3.8 p -47.7 171.14 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.78 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.6 mpt_? -103.46 -24.45 13.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.502 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.619 ' HB2' ' CG2' ' A' ' 77' ' ' VAL . . . -139.13 142.81 38.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 111.423 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG11 ' CE2' ' A' ' 71' ' ' PHE . 40.7 t -126.2 111.6 27.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.821 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.757 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -143.03 -175.52 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.995 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.528 ' OG ' HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -113.67 141.18 47.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . -61.08 -52.83 63.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 110.882 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -25.77 17.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.958 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -151.83 72.95 1.04 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.566 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.757 HD23 ' CB ' ' A' ' 27' ' ' ARG . 1.3 mt -75.85 -17.97 59.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.341 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.29 12.47 13.9 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -172.99 160.76 4.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.898 0.38 . . . . 0.0 111.366 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.678 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -96.77 177.47 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' OG ' ' A' ' 28' ' ' SER . 4.1 mp -95.69 -67.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.676 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 40' ' ' GLN . 5.2 t 171.61 157.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.556 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -38.16 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.355 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -34.69 61.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.625 ' H ' HG23 ' A' ' 37' ' ' THR . 6.3 mm-40 -69.97 -55.68 8.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.043 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.04 -37.3 48.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.713 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.588 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . . . -65.33 -37.58 87.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.058 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -38.07 72.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.082 0.468 . . . . 0.0 109.994 179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.886 ' HA ' HD12 ' A' ' 47' ' ' ILE . 9.6 t80 -75.91 -47.68 24.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.485 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.588 ' HG2' ' HA ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -60.98 -26.77 67.8 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.79 -30.35 56.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.699 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' A' ' 44' ' ' TYR . 36.2 mt -58.79 -61.26 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.792 HD12 ' CD1' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -68.59 -36.78 79.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.686 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -56.92 -37.99 72.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.059 0.457 . . . . 0.0 110.101 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.658 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -68.67 -27.6 66.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.306 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.402 ' HA ' ' CG2' ' A' ' 54' ' ' VAL . 14.3 t -66.74 -33.24 75.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.883 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.817 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -66.88 -39.92 87.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.194 -178.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -79.23 5.29 12.62 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.101 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 50' ' ' ALA . 2.0 m -124.21 22.27 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 111.243 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -97.02 170.85 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.811 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.34 -39.67 20.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.973 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -86.54 109.2 18.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.59 86.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.034 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.21 94.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -60.31 -50.67 72.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -52.03 -51.62 56.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.0 mtt85 -50.98 -33.76 26.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.0 -44.09 64.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.817 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.17 -38.27 75.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.564 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.649 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -56.73 -35.07 68.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.925 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.24 -33.98 43.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.15 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB2' HD13 ' A' ' 21' ' ' LEU . 2.2 mtmm -67.29 -28.34 67.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.021 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.792 ' CD1' HD12 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.46 -29.81 57.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.303 179.3 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.37 -25.62 59.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.82 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.632 ' OD2' HG11 ' A' ' 73' ' ' VAL . 37.3 t70 -100.53 16.85 23.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.432 ' CE2' HG11 ' A' ' 26' ' ' VAL . 31.3 t80 -62.61 131.44 49.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 111.179 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 58.71 34.43 23.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.358 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.632 HG11 ' OD2' ' A' ' 70' ' ' ASP . 9.3 p -74.66 155.98 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.081 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -69.22 96.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.951 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -143.79 144.39 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.784 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.12 134.09 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.78 HG22 ' HB3' ' A' ' 24' ' ' ARG . 48.9 t -83.79 155.71 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.701 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.444 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -146.78 157.91 43.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.115 -179.324 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 119' ' ' VAL . . . -61.39 149.26 38.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.144 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.53 -31.12 6.66 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.31 -158.14 0.15 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 158.28 39.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.208 0.527 . . . . 0.0 111.563 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.731 HG23 HD21 ' A' ' 101' ' ' LEU . 45.7 t -120.11 127.94 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.579 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.729 HG21 ' HB ' ' A' ' 20' ' ' VAL . 14.5 p -92.78 131.69 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.123 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.469 HG11 ' HB2' ' A' ' 29' ' ' ALA . 2.4 t -109.64 144.09 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.053 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 28' ' ' SER . 5.6 pt -81.82 -18.72 11.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.795 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.65 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 50.1 m-20 -105.82 -44.13 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.927 0.394 . . . . 0.0 110.168 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . 136.26 -174.77 21.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.86 -0.685 . . . . 0.0 112.786 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.807 ' O ' HG21 ' A' ' 115' ' ' THR . 8.3 tp -178.02 115.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.706 0.288 . . . . 0.0 110.79 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.88 44.34 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.202 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.94 153.73 0.84 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.959 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.7 ttt -57.44 124.41 18.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.56 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.53 ' HB3' HD21 ' A' ' 89' ' ' LEU . . . -134.05 126.7 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.978 0.418 . . . . 0.0 111.959 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.79 ' HA ' HG12 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -60.03 141.89 54.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.155 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 95' ' ' PHE . 89.5 t80 -134.32 0.64 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.549 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 -167.63 1.53 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.725 0.297 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -46.42 -46.28 18.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.19 19.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.481 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.647 HD23 ' HA ' ' A' ' 121' ' ' LYS . 28.9 mt -108.34 123.2 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.79 HG12 ' HA ' ' A' ' 94' ' ' HIS . 34.4 m -110.07 179.64 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.367 0.603 . . . . 0.0 111.869 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.731 HD21 HG23 ' A' ' 83' ' ' VAL . 14.5 mt -124.65 123.48 40.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.983 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.959 HG22 ' HG3' ' A' ' 92' ' ' MET . 17.0 t -106.09 136.82 19.27 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.036 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.69 123.35 8.16 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.513 2.142 . . . . 0.0 111.59 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.529 ' HB3' HG22 ' A' ' 116' ' ' ILE . 11.2 tp -122.97 -51.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.569 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.515 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.8 m -146.37 123.44 11.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.989 0.423 . . . . 0.0 111.607 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.1 m -117.43 121.41 40.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.782 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 22.7 mttp -146.09 135.13 22.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.741 HG22 ' HG2' ' A' ' 113' ' ' ARG . 11.8 t -100.1 142.61 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.954 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -142.61 122.79 10.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.035 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.74 34.18 85.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.26 28.55 57.89 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.401 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.547 ' C ' HG13 ' A' ' 108' ' ' VAL . 50.2 m -138.54 118.76 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.741 ' HG2' HG22 ' A' ' 108' ' ' VAL . 15.4 mtm180 -68.63 146.53 52.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 14.1 m -140.56 104.57 4.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.692 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.807 HG21 ' O ' ' A' ' 89' ' ' LEU . 98.1 m -108.09 141.17 40.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.125 0.488 . . . . 0.0 111.403 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.529 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -118.93 133.37 65.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.199 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.671 ' HB2' HD22 ' A' ' 101' ' ' LEU . 71.2 m -129.56 140.18 51.3 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -73.83 138.4 44.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.623 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.621 HG21 ' CG1' ' A' ' 77' ' ' VAL . 2.7 t -87.33 115.65 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.794 0.33 . . . . 0.0 110.33 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.98 149.11 30.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.266 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.647 ' HA ' HD23 ' A' ' 99' ' ' LEU . 28.2 ttmt -74.54 149.36 40.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -89.52 123.84 33.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.775 -0.13 . . . . 0.0 112.775 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.861 ' N ' HD13 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -102.43 -84.74 0.45 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.52 0.2 . . . . 0.0 110.636 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.2 p -70.56 -26.64 63.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.851 0.358 . . . . 0.0 110.737 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.07 -23.74 62.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.478 HG22 ' HB3' ' A' ' 8' ' ' ALA . 66.6 m -107.26 -42.32 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt 62.57 137.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.085 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 56.52 30.7 17.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.225 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.478 ' HB3' HG22 ' A' ' 5' ' ' THR . . . -172.98 124.27 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 2' ' ' LEU . 1.1 mt -129.86 163.93 25.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.4 t -70.67 173.15 7.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.781 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -59.8 -30.72 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.05 -39.89 93.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -52.13 66.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.45 ' HA ' HD23 ' A' ' 17' ' ' LEU . 40.7 m-85 -59.01 -27.66 65.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.81 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -81.28 -33.42 32.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.335 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.522 ' HE2' HG22 ' A' ' 105' ' ' THR . 10.7 t80 -73.07 -54.2 9.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.558 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.988 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -59.48 -36.2 75.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.48 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.474 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 0.5 OUTLIER -59.31 -33.96 71.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.152 0.501 . . . . 0.0 109.688 179.308 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.31 -24.38 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.089 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.988 HG22 ' O ' ' A' ' 17' ' ' LEU . 4.3 m -71.77 -29.53 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.347 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 68' ' ' LEU . 14.4 mt -76.45 -18.22 58.9 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -25.05 30.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.582 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.523 ' SG ' HG12 ' A' ' 84' ' ' VAL . 7.2 p -50.16 176.62 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.737 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.0 OUTLIER -112.22 2.18 16.51 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.655 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.839 ' HB3' HG13 ' A' ' 83' ' ' VAL . . . -164.65 140.31 5.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.934 0.397 . . . . 0.0 111.576 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.576 HG13 HG13 ' A' ' 84' ' ' VAL . 11.9 t -131.27 107.39 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.589 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.674 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -157.76 134.01 9.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.92 0.391 . . . . 0.0 111.115 -179.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.408 ' CB ' ' HB ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -65.6 145.19 56.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.242 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.504 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -58.42 -44.28 89.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.8 mmt -51.78 -31.0 25.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.717 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.513 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 68.4 m-20 -149.8 64.49 0.99 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.225 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -58.38 -19.64 37.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.618 -179.347 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -109.25 -14.26 14.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.502 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . . . -118.56 140.77 49.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.865 0.364 . . . . 0.0 111.446 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.49 177.52 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.807 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.68 ' N ' HD13 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -83.44 -66.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.432 . . . . 0.0 110.743 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.804 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER 176.57 168.59 0.49 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 179.57 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -51.37 -54.24 28.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.115 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 40' ' ' GLN . 55.3 p90 -74.96 -34.54 62.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.238 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.451 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 15.3 mt-30 -66.23 -40.18 90.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.328 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 37' ' ' THR . 89.1 t -66.75 -39.7 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 110.798 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.55 -28.01 69.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.519 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -57.02 -44.91 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.529 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.538 ' HA ' HD12 ' A' ' 47' ' ' ILE . 29.5 t80 -69.46 -42.16 75.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.433 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.58 ' HB3' HD21 ' A' ' 68' ' ' LEU . 15.4 mtm180 -59.66 -30.67 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.755 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -72.59 -31.59 65.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.803 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 44' ' ' TYR . 67.2 mt -58.4 -59.45 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 48' ' ' LEU . 3.3 mt -66.89 -44.89 79.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.748 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -58.1 -31.53 67.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.8 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -71.6 -27.98 63.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -33.17 74.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.093 0.473 . . . . 0.0 110.87 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.856 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.6 OUTLIER -63.59 -56.44 15.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.078 -179.111 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -49.18 -25.55 2.3 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.007 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -103.5 22.27 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.719 0.295 . . . . 0.0 111.316 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 26.9 t0 -98.07 144.78 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.769 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -56.25 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' CB ' ' HB2' ' A' ' 60' ' ' ARG . 40.6 m-20 -64.81 100.1 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.82 -48.54 68.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.51 -44.97 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.175 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 4.5 mtt180 -63.16 -43.07 99.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 t -56.06 -33.24 64.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.195 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -63.33 -50.63 69.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.976 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.671 ' HG3' HD23 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -59.38 -32.4 70.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 -179.201 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.816 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -69.79 -42.06 74.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.419 . . . . 0.0 110.149 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.856 ' HG2' HD12 ' A' ' 52' ' ' LEU . 1.8 mtt -58.36 -30.12 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.44 -36.71 33.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.023 0.44 . . . . 0.0 110.324 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.575 ' HB2' HD13 ' A' ' 21' ' ' LEU . 1.2 mtmm -72.16 -32.5 66.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.15 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.751 ' HA ' HD22 ' A' ' 21' ' ' LEU . 7.6 tt -74.46 -23.33 58.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.431 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.35 -31.28 61.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.993 0.425 . . . . 0.0 110.718 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.751 ' OD2' HG11 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -89.49 -34.6 16.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.419 179.649 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.406 ' CD2' ' HD3' ' A' ' 45' ' ' ARG . 45.2 t80 39.53 -92.24 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.963 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -110.89 58.01 0.62 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.9 0.381 . . . . 0.0 111.223 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.751 HG11 ' OD2' ' A' ' 70' ' ' ASP . 8.7 p -73.51 145.11 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.32 91.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.004 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -127.79 158.45 37.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.803 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -84.16 123.6 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.737 HG22 ' HB3' ' A' ' 24' ' ' ARG . 52.1 t -81.55 143.66 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.309 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.63 162.21 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.545 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 119' ' ' VAL . . . -63.3 147.82 50.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.999 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 -31.14 6.66 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -80.7 -158.05 0.18 Allowed 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.16 162.22 40.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.077 0.465 . . . . 0.0 111.367 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.839 HG13 ' HB3' ' A' ' 25' ' ' ALA . 44.9 t -124.3 126.12 71.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.628 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.631 ' O ' HG13 ' A' ' 84' ' ' VAL . 10.0 p -94.9 109.86 22.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.05 0.452 . . . . 0.0 111.394 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.676 HG12 ' H ' ' A' ' 87' ' ' ASP . 17.7 t -87.24 133.48 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.38 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.408 ' HB ' ' CB ' ' A' ' 28' ' ' SER . 3.4 mt -70.56 -9.93 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.676 ' H ' HG12 ' A' ' 85' ' ' VAL . 12.8 t70 -109.65 -44.38 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.413 . . . . 0.0 110.304 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.516 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.04 -176.84 19.99 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.563 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.894 ' O ' HG21 ' A' ' 115' ' ' THR . 15.3 tp -177.87 120.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.602 179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -125.11 47.08 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 0.0 111.559 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.67 157.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.211 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.933 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.9 ttt -62.65 124.46 21.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.333 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.43 129.04 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.829 ' HA ' HG12 ' A' ' 100' ' ' VAL . 10.4 t-80 -57.09 144.44 34.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.88 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -124.92 -24.68 4.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.766 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.444 ' N ' ' CE1' ' A' ' 94' ' ' HIS . 3.7 ttpm? 179.73 135.99 0.11 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.808 0.337 . . . . 0.0 111.072 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 50.72 -89.53 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.038 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -135.21 9.9 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.585 0.231 . . . . 0.0 111.196 179.624 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.565 HD22 HG12 ' A' ' 119' ' ' VAL . 13.0 mt -92.26 123.3 35.49 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 94' ' ' HIS . 30.8 m -109.87 177.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.382 0.611 . . . . 0.0 111.565 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.664 HD22 ' HB2' ' A' ' 117' ' ' CYS . 6.2 mt -124.52 123.44 40.12 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.197 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.933 HG22 ' HG3' ' A' ' 92' ' ' MET . 13.3 t -107.2 137.48 19.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.043 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -47.52 123.39 8.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.558 2.172 . . . . 0.0 111.661 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' A' ' 116' ' ' ILE . 7.1 tp -121.9 -51.86 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.708 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.522 HG22 ' HE2' ' A' ' 16' ' ' PHE . 2.8 m -152.51 123.69 7.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.089 0.471 . . . . 0.0 111.939 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 91.1 m -116.83 120.7 39.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.727 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 19.4 ttmm -144.37 131.29 20.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.683 HG22 ' HA ' ' A' ' 113' ' ' ARG . 16.0 t -96.99 134.97 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.0 t -138.38 121.37 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.084 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.91 6.39 85.56 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.81 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 99.41 26.31 8.79 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.61 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.603 ' C ' HG13 ' A' ' 108' ' ' VAL . 0.8 OUTLIER -139.4 118.7 12.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.683 ' HA ' HG22 ' A' ' 108' ' ' VAL . 66.9 mtm180 -60.73 141.63 56.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.5 105.49 4.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.894 HG21 ' O ' ' A' ' 89' ' ' LEU . 92.5 m -107.73 144.21 35.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.118 0.485 . . . . 0.0 111.18 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -119.45 134.12 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.033 178.474 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.664 ' HB2' HD22 ' A' ' 101' ' ' LEU . 92.2 m -128.87 139.98 51.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -177.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -73.73 140.96 46.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.684 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.655 HG21 ' CG1' ' A' ' 77' ' ' VAL . 7.3 t -89.71 112.12 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.931 0.396 . . . . 0.0 110.701 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.51 ' O ' HG22 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -134.8 141.98 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.382 -179.113 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.432 ' N ' HD23 ' A' ' 99' ' ' LEU . 0.5 OUTLIER -79.19 125.49 29.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 94.08 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.934 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' HA2' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.44 ' O ' ' HB ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -130.98 -164.11 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 0.0 111.034 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.586 HG21 ' CG1' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -61.29 -50.87 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.608 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.76 -29.47 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 7' ' ' ALA . 55.5 m -65.16 -38.88 91.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.558 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mt 56.75 29.42 15.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.092 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.562 ' HB3' HG22 ' A' ' 5' ' ' THR . . . -129.32 -63.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -133.78 179.83 5.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.135 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.501 HD13 ' OD1' ' A' ' 13' ' ' ASP . 74.7 mt -131.0 129.32 41.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.457 HG23 ' HB2' ' A' ' 12' ' ' ASP . 10.1 t -62.39 171.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -59.39 -29.88 68.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.963 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.457 ' HB2' HG23 ' A' ' 10' ' ' THR . 24.9 m-20 -58.6 -31.35 67.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.501 ' OD1' HD13 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -71.21 -52.22 20.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.94 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.58 ' HA ' HD23 ' A' ' 17' ' ' LEU . 27.9 m-85 -66.7 -30.02 70.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.713 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -30.28 54.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.185 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -68.63 -54.06 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.505 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 64' ' ' LEU . 1.3 pp -57.85 -36.38 72.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.774 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.41 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 14.9 p -54.85 -40.26 69.46 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.125 0.488 . . . . 0.0 109.936 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.13 -26.21 52.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.246 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.89 HG13 HG21 ' A' ' 84' ' ' VAL . 70.2 t -62.42 -47.12 94.51 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.061 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 67' ' ' LYS . 43.2 mt -59.58 -23.91 63.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.021 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.15 -29.2 61.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.671 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.57 ' SG ' HD11 ' A' ' 116' ' ' ILE . 55.9 m -49.6 162.64 0.15 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.884 ' HB3' HG22 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -107.28 16.26 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.502 -179.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.473 ' HB3' HG22 ' A' ' 83' ' ' VAL . . . -176.65 145.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.931 0.396 . . . . 0.0 111.309 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.975 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 21.2 t -134.26 122.29 40.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.834 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 35' ' ' ALA . 7.3 mmt-85 -150.91 -175.84 5.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.515 ' CB ' HD11 ' A' ' 86' ' ' ILE . 19.7 p -113.18 134.63 54.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.77 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.669 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -57.67 -43.88 85.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.884 0.373 . . . . 0.0 110.677 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.1 mtt -56.58 -28.2 59.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.832 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -158.37 73.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.491 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -76.48 -18.12 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.392 -179.595 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -5.38 43.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.47 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.14 134.25 6.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.761 0.315 . . . . 0.0 111.416 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.447 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . . . -63.46 177.51 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.61 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -75.35 -68.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.789 0.328 . . . . 0.0 110.268 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER 173.4 171.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.416 178.441 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.73 -64.93 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.131 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -72.87 -34.5 66.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.913 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.555 ' H ' HG22 ' A' ' 37' ' ' THR . 20.3 mt-30 -57.31 -52.7 64.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.583 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 37' ' ' THR . 64.0 t -56.03 -37.55 49.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.545 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.1 83.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.121 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -56.95 -56.29 23.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.419 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.412 ' HA ' HD12 ' A' ' 47' ' ' ILE . 44.8 t80 -57.39 -33.63 68.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.171 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -65.12 -34.87 79.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.486 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -73.77 -33.1 64.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 44' ' ' TYR . 57.5 mt -54.95 -60.19 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.832 HD22 HG11 ' A' ' 109' ' ' VAL . 1.6 mt -63.83 -45.53 89.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.427 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 1.2 t30 -59.57 -29.91 68.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.744 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -70.14 -28.19 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.331 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -70.89 -33.34 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.408 . . . . 0.0 110.9 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.875 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -62.67 -56.48 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.72 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.503 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -55.04 -20.66 9.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.952 -179.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 50' ' ' ALA . 5.1 m -101.76 22.29 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.213 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' CE2' ' A' ' 14' ' ' PHE . 10.4 t70 -105.84 169.84 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 -98.59 27.62 4.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.029 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.4 93.53 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.77 -36.13 81.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.99 -50.51 22.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -65.52 -38.31 89.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 t -60.77 -57.36 13.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -51.05 -35.65 35.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.239 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -59.88 -44.44 94.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.695 HD12 HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.15 -38.86 75.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 179.771 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.875 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.9 mtt -55.59 -37.42 68.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.134 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.36 -30.94 42.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.6 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.716 ' HB3' HD13 ' A' ' 21' ' ' LEU . 1.5 mtpp -75.82 -37.31 59.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.71 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 68' ' ' LEU . 4.2 pp -76.78 -16.96 59.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -29.17 57.19 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.599 ' OD2' HG11 ' A' ' 73' ' ' VAL . 11.5 t0 -101.46 16.93 24.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.918 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.975 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 54.1 t80 -55.53 137.53 48.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.194 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.39 39.86 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.599 HG11 ' OD2' ' A' ' 70' ' ' ASP . 11.2 p -97.44 152.18 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.075 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -69.46 122.65 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.07 139.55 13.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.89 116.82 11.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.884 HG22 ' HB3' ' A' ' 24' ' ' ARG . 22.2 t -89.46 138.02 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.426 ' O ' ' HB ' ' A' ' 119' ' ' VAL . 0.1 OUTLIER -128.87 -163.32 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.518 179.582 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.41 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -83.05 149.45 26.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.371 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.91 -31.07 7.61 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.52 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -79.79 -158.03 0.16 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.77 148.97 12.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.08 0.466 . . . . 0.0 111.491 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 101' ' ' LEU . 60.7 t -105.51 123.47 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.208 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.89 HG21 HG13 ' A' ' 20' ' ' VAL . 11.9 p -92.7 115.81 32.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.039 0.447 . . . . 0.0 111.135 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.641 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.3 t -93.64 139.01 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.954 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.515 HD11 ' CB ' ' A' ' 28' ' ' SER . 2.9 pt -81.82 -5.93 9.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.669 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -114.17 -44.49 3.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.921 0.391 . . . . 0.0 110.154 179.537 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.492 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.98 -174.39 21.42 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.787 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.708 HD23 ' SG ' ' A' ' 117' ' ' CYS . 10.8 tp -177.99 145.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 110.356 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -146.36 42.73 1.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.202 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.75 157.36 0.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.146 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.966 ' HG3' HG22 ' A' ' 102' ' ' VAL . 2.0 ttt -59.89 127.69 33.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.569 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.16 125.25 21.45 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.821 ' HA ' HG12 ' A' ' 100' ' ' VAL . 5.2 t60 -54.83 147.84 14.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.039 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -126.54 -27.37 3.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.19 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.2 OUTLIER 179.22 144.92 0.15 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.631 0.253 . . . . 0.0 111.098 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.8 t70 46.54 -88.35 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.351 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' LYS . 12.8 m-20 -139.81 13.96 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.761 0.315 . . . . 0.0 111.266 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.654 HD23 ' HA ' ' A' ' 121' ' ' LYS . 53.1 mt -96.36 123.7 40.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.197 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.821 HG12 ' HA ' ' A' ' 94' ' ' HIS . 27.6 m -110.17 176.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.306 0.574 . . . . 0.0 111.864 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 83' ' ' VAL . 14.2 mt -121.77 123.62 42.26 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.966 HG22 ' HG3' ' A' ' 92' ' ' MET . 14.6 t -105.34 136.22 19.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -47.78 123.44 8.4 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.505 2.137 . . . . 0.0 111.36 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.572 ' HB3' HG22 ' A' ' 116' ' ' ILE . 2.4 tp -120.61 -51.7 2.15 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.9 m -151.2 123.66 8.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.973 0.416 . . . . 0.0 112.018 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 93.9 m -115.86 122.39 45.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.64 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -149.64 132.88 16.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.724 HG22 ' HG2' ' A' ' 113' ' ' ARG . 25.9 t -84.91 125.51 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.832 HG11 HD22 ' A' ' 48' ' ' LEU . 25.1 t -116.78 122.05 69.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.105 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 72.24 -69.33 1.1 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.595 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -170.66 35.54 0.17 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.405 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -158.09 129.69 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.314 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.724 ' HG2' HG22 ' A' ' 108' ' ' VAL . 1.9 mtp180 -59.55 144.88 46.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 10.4 m -140.54 106.16 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.608 HG21 ' O ' ' A' ' 89' ' ' LEU . 91.5 m -105.31 143.28 33.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.102 0.477 . . . . 0.0 111.099 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.572 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -116.46 137.86 48.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.708 ' SG ' HD23 ' A' ' 89' ' ' LEU . 71.3 m -133.39 139.18 46.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.79 140.38 45.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.774 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.498 HG21 ' CG1' ' A' ' 77' ' ' VAL . 3.9 t -90.69 110.77 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.83 0.348 . . . . 0.0 110.401 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.5 144.01 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 0.0 111.439 -179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.654 ' HA ' HD23 ' A' ' 99' ' ' LEU . 16.5 ttmm -74.75 134.07 41.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.009 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -101.74 157.16 17.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.772 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.897 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.419 ' O ' ' CG2' ' A' ' 3' ' ' THR . 0.2 OUTLIER -151.09 -151.25 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 2' ' ' LEU . 3.0 t 45.4 72.87 0.18 Allowed 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.87 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . 65.41 18.48 11.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.243 -177.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.674 ' O ' HG22 ' A' ' 5' ' ' THR . 61.3 m 49.83 24.29 1.24 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.773 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 35.15 35.32 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.085 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -171.34 -66.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.56 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.27 160.15 16.37 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.87 HD21 ' HB1' ' A' ' 4' ' ' ALA . 28.5 mt -127.65 175.26 8.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.17 172.68 6.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.49 -30.46 68.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -34.1 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.586 ' CG ' HD13 ' A' ' 9' ' ' LEU . 5.3 t70 -63.54 -52.04 62.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 55' ' ' ASP . 53.9 m-85 -72.87 -26.92 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -74.05 -36.83 64.41 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.209 0.528 . . . . 0.0 109.711 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' O ' HG13 ' A' ' 20' ' ' VAL . 79.9 t80 -60.05 -36.66 77.8 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.139 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.881 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -65.43 -36.07 82.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.291 179.516 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.0 t -54.87 -35.16 63.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -77.58 -47.81 18.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.142 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 16' ' ' PHE . 2.7 m -58.84 -47.25 89.96 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.118 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.358 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 83.9 mt -61.29 -22.2 64.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.87 -24.69 48.44 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.737 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.0 p -47.02 170.22 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.819 0.342 . . . . 0.0 111.196 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.797 ' HB3' HG22 ' A' ' 77' ' ' VAL . 7.1 mpt_? -104.35 -28.71 11.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.044 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -142.98 140.64 31.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.185 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.864 HG11 ' CE2' ' A' ' 71' ' ' PHE . 22.0 t -111.56 107.26 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.745 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -136.55 178.77 6.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.9 p -118.88 152.79 35.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.745 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.632 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -71.39 -34.39 70.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.4 mtt -55.91 -28.06 54.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.978 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -159.15 54.71 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.745 HD23 ' HB3' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -55.92 -22.32 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.502 -179.79 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -70.1 -10.82 60.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.646 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.25 175.14 13.77 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.96 0.409 . . . . 0.0 111.401 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -93.72 177.32 6.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.793 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 37' ' ' THR . 4.1 mp -96.01 -66.65 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER 177.49 160.91 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.784 179.492 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -53.28 -44.44 68.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.634 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -74.99 -34.55 61.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.659 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 3.8 mm-40 -59.46 -57.79 11.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.996 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.8 m -58.87 -34.0 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.556 ' HA ' ' HG2' ' A' ' 45' ' ' ARG . . . -65.21 -38.6 90.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.497 ' O ' HG13 ' A' ' 47' ' ' ILE . 9.2 tp-100 -57.17 -43.06 82.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 0.0 110.067 179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.418 ' HD1' HD12 ' A' ' 47' ' ' ILE . 22.8 t80 -75.75 -46.89 28.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.736 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.556 ' HG2' ' HA ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -58.35 -26.8 63.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -76.76 -33.6 58.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.712 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 43' ' ' GLN . 9.7 mt -55.46 -60.86 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.881 ' HB3' HD21 ' A' ' 17' ' ' LEU . 4.7 mt -65.85 -44.16 86.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 0.0 110.443 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.435 ' HB2' HD22 ' A' ' 68' ' ' LEU . 1.7 t30 -56.97 -36.12 69.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.528 179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 -28.02 64.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.692 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -33.34 75.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.578 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.767 HD22 HD12 ' A' ' 64' ' ' LEU . 3.7 mt -59.5 -53.94 52.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.419 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' H ' ' HG2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -46.48 -40.31 12.2 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.888 0.375 . . . . 0.0 111.269 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 m -93.75 22.38 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.667 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 38.1 t0 -88.19 155.82 19.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.642 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -71.43 -70.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -65.98 106.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.91 -29.18 69.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.2 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.49 77.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.071 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -65.99 -36.32 82.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.8 p -56.22 -47.66 78.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -54.76 -38.83 67.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -62.0 -46.68 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.767 HD12 HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -70.08 -38.59 75.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.759 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.613 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.55 -38.72 75.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.53 -32.89 36.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -72.47 -35.89 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.581 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' ' 49' ' ' ASN . 2.1 tt -76.56 -22.08 54.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.995 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.38 -27.54 48.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.252 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.552 ' OD2' HG11 ' A' ' 73' ' ' VAL . 0.8 OUTLIER -108.2 16.84 22.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.864 ' CE2' HG11 ' A' ' 26' ' ' VAL . 9.5 t80 -60.79 144.28 52.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.887 0.375 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 61.1 33.49 19.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.552 HG11 ' OD2' ' A' ' 70' ' ' ASP . 13.0 p -92.42 150.68 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.39 89.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.86 141.13 48.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.795 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.85 114.76 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.797 HG22 ' HB3' ' A' ' 24' ' ' ARG . 48.7 t -81.46 151.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.677 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.06 160.26 40.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.269 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.57 148.56 45.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.136 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.78 -30.99 6.85 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -76.75 -158.0 0.1 Allowed 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.419 ' HG2' HD22 ' A' ' 104' ' ' LEU . 3.2 mpt_? -149.55 165.52 31.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.1 0.476 . . . . 0.0 111.57 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.609 ' CG2' HD21 ' A' ' 101' ' ' LEU . 44.6 t -136.06 129.12 46.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.393 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.562 ' O ' HG13 ' A' ' 84' ' ' VAL . 10.7 p -95.84 116.08 36.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.0 111.53 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.0 t -89.15 110.02 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.469 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.9 mt -50.48 -23.96 2.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.775 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.632 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 28.9 t0 -96.57 -43.84 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.132 0.491 . . . . 0.0 109.86 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.491 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.09 -169.16 23.76 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.318 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.619 ' O ' HG21 ' A' ' 115' ' ' THR . 2.4 mt -177.92 146.34 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.599 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.22 33.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.253 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.37 156.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.048 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.902 ' HG3' HG22 ' A' ' 102' ' ' VAL . 1.7 ttt -52.72 126.1 18.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.754 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -138.35 124.7 20.51 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.829 ' HA ' HG12 ' A' ' 100' ' ' VAL . 29.7 t-80 -57.29 144.81 34.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.974 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -123.15 -29.77 3.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.246 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.53 ' HE3' HD12 ' A' ' 99' ' ' LEU . 23.8 pttt 179.35 149.02 0.26 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.727 0.299 . . . . 0.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.52 -90.03 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' LYS . 2.8 m-20 -140.8 12.5 2.27 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.581 0.229 . . . . 0.0 111.358 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.63 HD23 ' HA ' ' A' ' 121' ' ' LYS . 33.1 mt -95.66 123.81 39.39 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 94' ' ' HIS . 27.8 m -109.88 177.25 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.23 0.538 . . . . 0.0 111.634 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.644 HD22 ' HB2' ' A' ' 117' ' ' CYS . 15.6 mt -123.36 123.58 41.02 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.42 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.902 HG22 ' HG3' ' A' ' 92' ' ' MET . 16.4 t -105.32 137.25 19.21 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.49 123.52 8.15 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.69 2.26 . . . . 0.0 111.67 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.576 ' HB3' HG22 ' A' ' 116' ' ' ILE . 4.5 tp -123.74 -51.76 1.81 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.865 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.5 m -151.85 123.69 8.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 112.092 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.601 HG23 ' OG1' ' A' ' 115' ' ' THR . 14.6 m -118.98 118.17 30.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.8 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.424 ' HD2' ' CG ' ' A' ' 16' ' ' PHE . 13.9 ttmt -139.63 123.87 17.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.6 t -81.34 105.87 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.4 m -124.44 132.95 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 73.98 35.29 54.24 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.4 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 63.78 28.24 72.33 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.496 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 m -147.99 156.76 43.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.886 0.374 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.416 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 1.7 mtt180 -82.01 142.52 32.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 3.2 t -140.61 96.08 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.121 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.619 HG21 ' O ' ' A' ' 89' ' ' LEU . 89.0 m -103.17 144.71 30.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 111.069 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.576 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -121.36 137.92 53.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.644 ' HB2' HD22 ' A' ' 101' ' ' LEU . 71.4 m -133.78 141.64 47.56 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.469 ' HB2' HD13 ' A' ' 104' ' ' LEU . 31.3 t70 -72.45 139.93 47.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.773 178.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.71 113.7 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.857 0.361 . . . . 0.0 110.369 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.28 144.17 37.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.39 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.63 ' HA ' HD23 ' A' ' 99' ' ' LEU . 4.8 ttmt -74.44 147.53 41.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.71 117.96 15.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.869 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' N ' HG22 ' A' ' 10' ' ' THR . . . . . . . . 0 N--CA 1.488 2.11 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.541 HD23 ' OG1' ' A' ' 3' ' ' THR . 0.2 OUTLIER 61.58 -171.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 110.952 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.541 ' OG1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -51.27 -27.0 8.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.77 51.01 2.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.068 0.461 . . . . 0.0 110.521 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.724 ' CG2' ' HB3' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -179.74 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.822 -179.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.7 mt 61.29 137.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.347 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 52.58 37.5 23.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.467 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.724 ' HB3' ' CG2' ' A' ' 5' ' ' THR . . . -176.0 144.81 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -131.28 165.65 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 1' ' ' GLY . 9.3 t -112.72 -179.02 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -36.81 73.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.49 -43.42 97.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.2 -52.16 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.756 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -65.1 -26.88 68.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -75.37 -38.17 60.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.202 0.525 . . . . 0.0 109.681 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.649 ' O ' HG13 ' A' ' 20' ' ' VAL . 27.7 t80 -62.85 -36.73 84.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.005 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.899 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -62.16 -39.87 94.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.234 179.4 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -54.64 -34.59 62.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -77.55 -47.37 19.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.998 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.676 ' HB ' HG21 ' A' ' 84' ' ' VAL . 2.2 m -61.81 -45.0 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 68' ' ' LEU . 57.7 mt -69.74 -20.22 63.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.734 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.96 -26.3 34.09 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.756 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 20' ' ' VAL . 1.6 m -45.24 165.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' HD3' ' HB3' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -98.89 -9.45 24.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.863 -179.276 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.12 144.01 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.728 ' CG2' HG23 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -129.29 136.67 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.061 179.737 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.763 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -160.75 150.27 17.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.832 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.699 ' HB2' HD11 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -70.79 130.91 42.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 -179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.834 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -60.22 -34.18 73.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.499 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.4 mtt -59.48 -28.62 67.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.674 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -155.86 61.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.716 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.763 HD23 ' CB ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -57.93 -21.62 44.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.269 -179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 12.53 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.592 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -168.5 126.71 1.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.819 0.342 . . . . 0.0 111.413 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -85.79 177.47 7.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD12 ' H ' ' A' ' 36' ' ' LEU . 3.1 mp -84.63 -67.4 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.815 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.421 HG23 ' HB2' ' A' ' 40' ' ' GLN . 1.1 t 171.92 158.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.696 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.03 -51.76 9.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.239 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.24 -34.43 76.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -72.04 -55.77 6.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.028 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.8 t -55.81 -38.78 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' HA ' ' NH1' ' A' ' 45' ' ' ARG . . . -65.4 -38.23 89.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.964 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -57.06 -49.68 75.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.524 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.498 ' HD1' HD12 ' A' ' 47' ' ' ILE . 19.1 t80 -65.13 -34.81 79.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.321 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' NH1' ' HA ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -65.34 -39.66 92.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.829 179.721 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.81 -33.33 73.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.64 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.785 HG21 ' HA3' ' A' ' 110' ' ' GLY . 62.2 mt -59.72 -58.75 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.609 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.899 ' HB3' HD21 ' A' ' 17' ' ' LEU . 11.0 mt -65.67 -42.66 91.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.487 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.462 ' HB2' HD22 ' A' ' 68' ' ' LEU . 2.2 t30 -56.62 -31.92 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.837 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -73.9 -27.69 61.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.057 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -33.35 75.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.849 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -64.09 -56.59 13.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.809 -179.262 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -55.22 -58.17 8.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.239 -179.561 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 50' ' ' ALA . 3.5 m -49.56 -27.05 2.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.5 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -55.02 169.61 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -105.48 27.36 8.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.184 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.41 85.71 2.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.028 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.08 -30.37 69.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.06 -47.97 40.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.53 -35.33 60.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.185 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.6 p -59.15 -52.43 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.18 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 63' ' ' ARG . 5.1 ptt-85 -50.98 -33.71 25.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.197 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.449 ' N ' ' HG3' ' A' ' 62' ' ' ARG . 3.2 mtp180 -62.99 -46.78 86.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.785 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.849 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.29 -35.46 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.745 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.823 ' HG2' HD12 ' A' ' 52' ' ' LEU . 1.8 mtt -56.93 -30.52 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.057 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.56 -35.37 34.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.825 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -71.11 -34.21 70.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.618 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.491 ' HA ' HD22 ' A' ' 21' ' ' LEU . 8.4 tt -76.92 -22.51 53.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.837 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.24 -26.01 37.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.168 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.738 ' CG ' HG12 ' A' ' 73' ' ' VAL . 1.2 t0 -111.58 -34.74 5.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 11.2 t80 39.55 -90.36 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.006 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.708 ' HB2' HG13 ' A' ' 26' ' ' VAL . . . -81.2 71.11 8.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.841 0.353 . . . . 0.0 111.067 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.738 HG12 ' CG ' ' A' ' 70' ' ' ASP . 18.1 m -68.94 139.73 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.304 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -81.47 89.88 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.006 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -157.35 160.01 38.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.24 139.83 37.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.556 ' CG1' HG21 ' A' ' 119' ' ' VAL . 19.8 t -81.55 160.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.381 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.485 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -142.58 160.67 39.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.446 -179.235 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.469 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -61.43 145.31 52.13 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.183 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.13 7.04 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.423 ' HB3' ' HD3' ' A' ' 24' ' ' ARG . 24.3 m-20 -80.86 -158.14 0.19 Allowed 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 118' ' ' ASP . 0.7 OUTLIER -154.76 157.65 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.165 0.507 . . . . 0.0 111.47 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 47.4 t -120.15 118.49 57.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.295 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.713 ' CG1' ' HB ' ' A' ' 26' ' ' VAL . 6.3 p -93.08 113.87 28.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 111.036 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.834 HG11 ' HB2' ' A' ' 29' ' ' ALA . 10.8 t -93.32 115.62 32.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.29 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.728 HG23 ' CG2' ' A' ' 26' ' ' VAL . 8.8 pt -55.32 -21.26 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.037 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.455 ' H ' HG12 ' A' ' 85' ' ' VAL . 2.7 t0 -97.58 -43.98 6.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.03 0.443 . . . . 0.0 109.872 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.497 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.69 -173.26 21.88 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.088 179.106 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.829 ' O ' HG21 ' A' ' 115' ' ' THR . 2.7 mt -177.89 106.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -114.8 43.59 1.93 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.977 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.19 155.26 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.538 ' HG3' HG22 ' A' ' 102' ' ' VAL . 32.0 ttm -59.67 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -147.64 124.32 11.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 86.6 t60 -65.31 152.55 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -121.89 -34.94 3.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.926 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.77 153.58 0.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.647 -179.623 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.9 t0 44.59 -87.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.122 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 96' ' ' LYS . 9.7 m-20 -141.86 13.19 2.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.719 -0.219 . . . . 0.0 111.466 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 99' ' ' LEU . 24.1 mt -88.33 119.79 29.09 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -114.18 141.25 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.428 -179.396 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 117' ' ' CYS . 22.4 mt -98.84 129.96 45.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.105 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.538 HG22 ' HG3' ' A' ' 92' ' ' MET . 24.5 t -115.71 138.25 23.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 102' ' ' VAL . 5.4 Cg_endo -47.68 123.57 8.45 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.737 2.291 . . . . 0.0 111.973 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.738 HD13 ' HB2' ' A' ' 118' ' ' ASP . 2.1 tp -119.97 -51.74 2.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.792 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 115' ' ' THR . 3.8 m -150.96 123.65 8.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.95 0.405 . . . . 0.0 111.941 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.715 HG23 ' OG1' ' A' ' 115' ' ' THR . 16.9 m -119.57 117.83 29.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.84 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 8.0 mttp -135.89 144.17 45.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.548 HG22 ' HG2' ' A' ' 113' ' ' ARG . 31.8 t -99.36 123.43 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.038 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.5 t -138.02 114.71 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.785 ' HA3' HG21 ' A' ' 47' ' ' ILE . . . 77.24 32.3 48.65 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.79 27.76 70.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.7 m -140.88 137.64 33.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.548 ' HG2' HG22 ' A' ' 108' ' ' VAL . 4.0 mtm180 -80.53 126.95 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -118.38 92.37 3.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.834 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.829 HG21 ' O ' ' A' ' 89' ' ' LEU . 90.8 m -96.89 142.98 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.954 0.407 . . . . 0.0 111.056 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.543 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -123.77 137.65 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.435 178.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 67.4 m -129.91 141.15 50.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.026 0.441 . . . . 0.0 112.142 -178.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.738 ' HB2' HD13 ' A' ' 104' ' ' LEU . 24.9 t70 -74.78 138.51 42.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.556 HG21 ' CG1' ' A' ' 77' ' ' VAL . 5.4 t -87.97 102.97 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.984 0.421 . . . . 0.0 110.647 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.13 140.3 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.129 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -74.71 119.1 18.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.96 149.26 34.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.316 -0.85 . . . . 0.0 111.447 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.485 ' C ' ' HG ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.535 HD12 ' H ' ' A' ' 3' ' ' THR . 0.1 OUTLIER 30.87 -93.3 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.872 0.469 . . . . 0.0 112.151 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.535 ' H ' HD12 ' A' ' 2' ' ' LEU . 26.7 p -89.17 -46.17 9.01 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.975 0.417 . . . . 0.0 110.514 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.18 -24.3 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.038 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.6 m -104.63 -30.1 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 mt 58.01 175.33 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.93 -33.76 76.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.09 148.61 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.794 HD13 ' CG ' ' A' ' 13' ' ' ASP . 82.9 mt -116.18 148.36 40.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.994 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.536 HG23 ' H ' ' A' ' 12' ' ' ASP . 11.5 t -81.87 -179.28 7.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -62.15 -27.32 68.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.536 ' H ' HG23 ' A' ' 10' ' ' THR . 0.3 OUTLIER -58.3 -45.54 87.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.828 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.794 ' CG ' HD13 ' A' ' 9' ' ' LEU . 21.4 t70 -60.29 -44.77 95.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.672 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CD1' HD21 ' A' ' 17' ' ' LEU . 2.5 m-85 -72.87 -26.73 61.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.734 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -28.66 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 109.999 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.818 ' O ' HG13 ' A' ' 20' ' ' VAL . 18.0 t80 -73.87 -54.29 8.31 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.525 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.843 ' O ' HG22 ' A' ' 20' ' ' VAL . 1.2 pp -63.7 -36.48 84.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.993 0.425 . . . . 0.0 110.229 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.545 ' HA ' HD12 ' A' ' 21' ' ' LEU . 46.8 t -64.38 -34.01 77.17 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -77.44 -26.34 51.44 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.82 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 17' ' ' LEU . 3.7 m -73.15 -32.95 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.219 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.049 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 67' ' ' LYS . 11.3 mt -66.72 -22.5 66.06 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.19 -33.01 71.2 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.084 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.8 m -45.49 169.69 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.53 -46.19 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.35 140.24 49.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.955 0.407 . . . . 0.0 111.259 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 21.7 t -120.48 107.29 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.922 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -138.94 175.75 9.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.774 -179.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.08 150.78 28.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.683 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -67.46 -46.86 71.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.728 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.2 mmm -55.52 -26.14 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.726 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 31' ' ' ASN . 8.0 p-10 -155.71 71.95 0.77 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.51 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.922 HD23 ' HB3' ' A' ' 27' ' ' ARG . 1.1 mt -68.79 -18.9 64.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.47 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -91.42 12.51 20.38 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.1 134.96 0.2 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.831 0.348 . . . . 0.0 111.447 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.83 177.56 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.774 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.58 HD12 ' H ' ' A' ' 36' ' ' LEU . 4.7 mp -77.15 -67.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.613 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.758 HG21 ' CZ ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER 175.71 166.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.733 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.8 m -44.62 -68.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.868 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.758 ' CZ ' HG21 ' A' ' 37' ' ' THR . 41.4 p90 -53.62 -34.43 58.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.602 -179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.738 ' HB2' HG23 ' A' ' 37' ' ' THR . 0.9 OUTLIER -66.16 -58.63 5.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.812 0.339 . . . . 0.0 111.475 -179.798 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 37' ' ' THR . 42.3 t -55.43 -41.32 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.61 92.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.704 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -53.45 57.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.157 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.464 ' HA ' HD12 ' A' ' 47' ' ' ILE . 7.4 t80 -59.32 -35.38 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.221 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.403 ' HG3' ' CD2' ' A' ' 71' ' ' PHE . 15.8 mtp180 -63.5 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.88 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.11 -29.05 48.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 44' ' ' TYR . 57.6 mt -58.6 -61.16 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.64 ' N ' HD23 ' A' ' 48' ' ' LEU . 1.9 mt -65.74 -49.83 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.751 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.417 ' HB2' HD13 ' A' ' 68' ' ' LEU . 3.1 t30 -53.43 -29.99 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -73.84 -27.88 61.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.216 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -66.54 -33.04 74.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 179.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.885 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -65.95 -56.73 10.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.018 -178.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -53.32 -55.11 27.4 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.837 0.351 . . . . 0.0 111.675 -179.193 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.1 m -49.22 -26.52 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.62 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.91 171.2 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -97.18 -32.82 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.99 89.12 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.64 78.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.26 81.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.182 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -75.97 -37.27 58.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.082 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.7 t -62.42 -49.79 74.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.353 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -50.93 -33.75 25.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.303 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -69.16 -44.25 72.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.812 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.3 -42.61 71.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.806 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.885 ' HG2' HD12 ' A' ' 52' ' ' LEU . 1.6 mtt -54.18 -33.58 58.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.062 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.59 -31.0 47.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.367 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.586 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.33 -32.15 66.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.385 179.567 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.417 HD13 ' HB2' ' A' ' 49' ' ' ASN . 7.8 tt -76.84 -23.05 52.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.88 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.17 -23.85 23.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.258 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -105.5 16.79 24.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.223 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.461 ' CZ ' HG11 ' A' ' 26' ' ' VAL . 34.3 t80 -58.21 136.37 57.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.832 0.349 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.02 44.37 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.067 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.0 p -97.51 153.14 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -79.9 118.89 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -161.96 154.55 19.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -83.45 130.23 35.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.456 HG21 ' CZ ' ' A' ' 95' ' ' PHE . 3.2 t -81.64 162.13 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.78 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.429 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -151.25 163.12 39.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.392 -179.158 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.45 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.88 146.35 53.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.306 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.86 -31.03 6.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.349 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -77.88 -158.16 0.12 Allowed 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.825 ' HG2' HD22 ' A' ' 104' ' ' LEU . 1.7 mpt_? -154.93 151.79 28.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.059 0.457 . . . . 0.0 111.624 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG23 HD21 ' A' ' 101' ' ' LEU . 87.9 t -116.13 123.95 71.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.241 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 84' ' ' VAL . 6.3 p -92.84 120.91 42.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.946 0.403 . . . . 0.0 111.365 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.631 HG11 ' HB2' ' A' ' 29' ' ' ALA . 5.7 t -101.09 110.73 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.506 HD12 HD11 ' A' ' 36' ' ' LEU . 4.2 mt -45.76 -27.76 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.813 -178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.683 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -94.51 -43.74 8.19 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.62 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.05 -172.16 22.46 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.228 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.502 HD23 ' SG ' ' A' ' 117' ' ' CYS . 22.1 tp -177.84 106.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.409 . . . . 0.0 111.098 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.476 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 14.0 m-20 -117.94 53.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.611 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.409 ' HD3' ' O ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -176.61 145.18 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -179.452 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.944 ' HG3' HG22 ' A' ' 102' ' ' VAL . 4.7 ttt -59.16 120.29 8.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.434 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -136.11 128.47 30.21 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.858 ' HA ' HG12 ' A' ' 100' ' ' VAL . 31.3 t-80 -59.87 147.92 36.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.776 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.456 ' CZ ' HG21 ' A' ' 77' ' ' VAL . 66.1 t80 -123.47 -31.32 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.355 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.26 153.88 0.44 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.745 0.307 . . . . 0.0 111.165 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 46.65 -88.83 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.364 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 96' ' ' LYS . 58.3 m-20 -146.77 20.88 1.29 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.939 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.817 HD23 ' HA ' ' A' ' 121' ' ' LYS . 64.0 mt -104.03 125.69 50.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.279 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.858 HG12 ' HA ' ' A' ' 94' ' ' HIS . 24.8 m -110.26 173.15 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.444 0.64 . . . . 0.0 111.726 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.512 HD21 HG23 ' A' ' 83' ' ' VAL . 12.5 mt -116.64 123.38 47.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.107 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.944 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.6 t -108.84 138.71 20.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.794 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.476 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 4.6 Cg_endo -46.95 123.4 7.32 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.493 2.128 . . . . 0.0 111.634 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.825 HD22 ' HG2' ' A' ' 82' ' ' ARG . 7.9 tp -118.11 -47.18 2.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.492 -179.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 115' ' ' THR . 23.3 m -163.6 129.44 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.032 0.444 . . . . 0.0 111.586 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.686 HG23 ' OG1' ' A' ' 115' ' ' THR . 87.0 m -121.49 115.97 23.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.812 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 11.3 mttm -138.14 145.69 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.6 HG22 ' HA ' ' A' ' 113' ' ' ARG . 20.9 t -111.71 130.37 65.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.6 t -127.89 117.72 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.41 -57.83 4.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 171.41 43.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.558 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.57 ' O ' HG13 ' A' ' 108' ' ' VAL . 21.3 m -153.62 135.55 14.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.6 ' HA ' HG22 ' A' ' 108' ' ' VAL . 7.8 mtm180 -77.58 109.41 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.989 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 23.1 t -107.42 103.51 12.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.686 ' OG1' HG23 ' A' ' 106' ' ' THR . 75.9 m -113.38 152.64 29.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 110.888 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.459 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -129.84 142.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.807 178.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.502 ' SG ' HD23 ' A' ' 89' ' ' LEU . 86.0 m -129.3 139.41 51.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.187 -178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.611 ' HB2' HD13 ' A' ' 104' ' ' LEU . 4.3 t0 -71.58 138.45 48.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.153 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.45 ' HB ' ' HA ' ' A' ' 79' ' ' ALA . 2.7 t -90.35 110.85 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.19 147.62 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.52 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.817 ' HA ' HD23 ' A' ' 99' ' ' LEU . 6.5 ttmt -74.62 152.41 39.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.024 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -79.78 131.98 36.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.974 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.916 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.584 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.0 pt? -156.78 -46.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.794 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.457 ' N ' ' HG ' ' A' ' 2' ' ' LEU . 29.0 p -119.24 -44.26 2.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.1 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.61 -26.98 64.26 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.489 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.909 HG23 ' HB3' ' A' ' 8' ' ' ALA . 27.9 m -92.24 -53.84 4.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.318 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mt 62.07 -81.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.326 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . -97.08 77.91 2.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.46 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.909 ' HB3' HG23 ' A' ' 5' ' ' THR . . . 173.73 81.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.608 HD13 ' OD2' ' A' ' 13' ' ' ASP . 2.4 mt -104.53 166.38 10.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.5 p -106.88 -179.05 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.59 -28.54 46.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.01 -45.4 86.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.608 ' OD2' HD13 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -61.95 -45.44 93.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 11.5 m-85 -71.56 -26.96 62.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.75 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -77.66 -29.4 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.344 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.537 ' HE2' HG22 ' A' ' 105' ' ' THR . 48.3 t80 -73.33 -54.29 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.502 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' A' ' 14' ' ' PHE . 1.8 pp -62.22 -36.23 81.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.368 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -59.16 -45.36 91.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.996 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' ASP . 76.8 m-20 -77.02 -14.37 59.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.623 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.063 HG13 HG21 ' A' ' 84' ' ' VAL . 4.5 t -73.98 -46.58 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.842 HD22 ' HA ' ' A' ' 68' ' ' LEU . 38.4 mt -57.93 -25.61 61.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.921 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 19' ' ' ASP . 2.4 m-20 -61.89 -28.31 69.42 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.283 179.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.431 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 13.8 p -50.57 -179.06 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.139 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.786 ' HB2' HG22 ' A' ' 77' ' ' VAL . 1.4 mmt180 -109.38 -45.61 3.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.574 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.17 148.27 37.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 111.582 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.611 ' CG1' ' HB2' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -109.76 132.2 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.524 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.739 ' CZ ' ' HB2' ' A' ' 35' ' ' ALA . 6.2 mmt-85 -156.9 142.05 17.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.808 ' HB2' HD11 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -71.16 133.9 46.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.73 179.731 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.881 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -60.81 -41.69 96.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 110.345 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.3 mtt -54.82 -25.64 29.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.395 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.702 ' HB3' ' HB3' ' A' ' 34' ' ' ALA . 18.5 m-80 -147.74 58.53 1.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.228 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -26.15 5.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.529 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -101.64 12.62 36.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.612 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.702 ' HB3' ' HB3' ' A' ' 31' ' ' ASN . . . -148.2 134.73 19.73 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 111.349 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.739 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -90.77 177.51 6.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.797 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.73 HD11 ' CD1' ' A' ' 86' ' ' ILE . 3.6 mp -95.39 -66.82 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.836 0.35 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER 178.55 160.42 0.6 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.798 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -44.31 70.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.615 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.96 -34.48 62.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.453 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 1.5 mp0 -59.91 -56.72 18.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.018 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.2 -34.05 52.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.47 84.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -57.12 -56.42 21.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.542 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.543 ' CE2' HG22 ' A' ' 86' ' ' ILE . 2.9 t80 -60.18 -34.95 74.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.493 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.613 ' CG ' HD21 ' A' ' 68' ' ' LEU . 2.9 ttp180 -61.56 -36.42 80.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.797 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -74.13 -28.97 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.03 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 44' ' ' TYR . 46.0 mt -56.73 -61.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.829 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.728 HD22 HG11 ' A' ' 109' ' ' VAL . 2.3 mt -64.79 -35.81 82.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.048 0.452 . . . . 0.0 110.01 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.422 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 3.2 t30 -60.93 -44.18 97.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.493 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -59.07 -28.17 66.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.965 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -69.16 -32.95 72.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.113 0.482 . . . . 0.0 110.406 179.621 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 65' ' ' MET . 4.1 mt -64.85 -54.07 36.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.074 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -47.87 -26.37 1.66 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.38 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -100.26 22.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.872 0.367 . . . . 0.0 111.483 -179.654 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -92.88 171.1 9.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.658 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.11 -48.54 4.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.804 0.335 . . . . 0.0 111.033 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.55 101.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.35 69.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.57 78.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.16 -36.7 61.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.7 t -57.27 -33.34 67.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -39.57 76.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -43.87 93.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.61 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -70.1 -41.36 74.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.592 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -59.33 -38.8 81.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.957 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.55 -35.84 33.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.388 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.525 ' CB ' HD13 ' A' ' 21' ' ' LEU . 29.7 mtpt -68.35 -30.44 69.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.28 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.842 ' HA ' HD22 ' A' ' 21' ' ' LEU . 4.5 tt -76.85 -27.08 54.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.563 179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.15 -26.41 50.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.709 ' O ' HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -105.53 17.36 23.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.081 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.547 ' CD2' HG11 ' A' ' 26' ' ' VAL . 30.4 t80 -40.63 -70.56 0.1 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.894 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.611 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . . . -99.1 28.75 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 70' ' ' ASP . 14.6 p -58.99 150.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -76.18 89.81 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.659 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -133.95 160.11 38.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.49 139.14 30.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.979 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.786 HG22 ' HB2' ' A' ' 24' ' ' ARG . 16.9 t -103.43 140.36 21.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -140.03 -161.17 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.69 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.488 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -82.95 149.72 26.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.288 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.56 -31.17 7.77 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.422 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.427 ' OD1' HG21 ' A' ' 119' ' ' VAL . 2.3 p30 -90.49 -163.34 1.01 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -151.37 161.09 43.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.138 0.495 . . . . 0.0 111.781 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.545 HG23 HD21 ' A' ' 101' ' ' LEU . 97.6 t -113.48 125.92 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.411 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.063 HG21 HG13 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -92.65 124.38 45.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.322 179.639 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.881 HG11 ' HB2' ' A' ' 29' ' ' ALA . 3.1 t -106.94 125.39 63.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.054 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.808 HD11 ' HB2' ' A' ' 28' ' ' SER . 39.9 pt -69.99 -9.73 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.754 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.54 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -109.27 -44.79 3.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.96 0.409 . . . . 0.0 110.004 179.266 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.71 -171.21 22.77 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.55 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.758 HD23 ' SG ' ' A' ' 117' ' ' CYS . 9.8 tp -177.98 106.64 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -111.62 45.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.235 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? 176.49 159.39 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.03 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 145.02 47.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.75 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -153.17 122.93 6.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.802 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.417 ' CE1' ' CA ' ' A' ' 96' ' ' LYS . 34.5 t-80 -64.15 152.46 40.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.511 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CD2' ' HD3' ' A' ' 96' ' ' LYS . 29.6 t80 -125.7 -33.45 2.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.568 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 179.01 153.02 0.38 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.657 0.265 . . . . 0.0 111.192 -179.786 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 46.16 -88.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.274 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 96' ' ' LYS . 58.5 m-20 -144.46 17.5 1.68 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.644 0.259 . . . . 0.0 111.275 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.608 HD22 HG12 ' A' ' 119' ' ' VAL . 15.2 mt -90.13 119.83 30.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 0.0 110.311 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.28 137.82 42.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.371 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.545 HD21 HG23 ' A' ' 83' ' ' VAL . 19.4 mt -93.93 123.79 37.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.229 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.0 t -109.09 137.27 20.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.76 123.41 8.33 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.575 2.184 . . . . 0.0 111.768 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.588 HD13 ' HB2' ' A' ' 118' ' ' ASP . 5.4 tp -113.73 -50.61 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.304 -179.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.537 HG22 ' HE2' ' A' ' 16' ' ' PHE . 20.5 m -160.9 131.76 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 111.642 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 90.6 m -119.7 120.18 35.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.81 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.464 ' CB ' ' CE2' ' A' ' 16' ' ' PHE . 4.5 tttm -142.96 138.83 30.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.029 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.43 HG13 ' C ' ' A' ' 112' ' ' SER . 15.7 t -97.2 140.46 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.016 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.728 HG11 HD22 ' A' ' 48' ' ' LEU . 21.6 t -137.15 123.89 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.37 -62.46 2.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 177.95 39.48 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.43 ' C ' HG13 ' A' ' 108' ' ' VAL . 1.4 m -156.95 138.74 14.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.78 145.21 48.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 9.0 m -140.49 110.27 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.078 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.664 HG21 ' O ' ' A' ' 89' ' ' LEU . 87.9 m -115.01 141.09 48.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 111.198 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.815 HG23 HG23 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -117.33 142.44 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.758 ' SG ' HD23 ' A' ' 89' ' ' LEU . 66.2 m -134.01 135.82 43.66 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.588 ' HB2' HD13 ' A' ' 104' ' ' LEU . 17.5 t70 -71.26 141.43 50.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.697 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.608 HG12 HD22 ' A' ' 99' ' ' LEU . 10.7 t -91.18 103.03 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.008 0.432 . . . . 0.0 110.871 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -123.6 139.38 50.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.95 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -74.54 114.96 13.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.009 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 98.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.972 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.634 -0.186 . . . . 0.0 112.634 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 3' ' ' THR . 6.0 tt -101.56 -100.1 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 119.728 -0.177 . . . . 0.0 110.67 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.462 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.9 OUTLIER 39.37 73.4 0.11 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.808 0.337 . . . . 0.0 110.603 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.559 ' HB1' HD12 ' A' ' 9' ' ' LEU . . . 61.87 21.63 12.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.789 -178.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.512 ' HB ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER 49.99 24.33 1.33 Allowed 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.378 -179.524 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 38.35 -85.67 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 5' ' ' THR . . . -55.91 -15.33 3.24 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.512 ' HB2' ' HB ' ' A' ' 5' ' ' THR . . . -71.49 -47.55 54.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.981 0.42 . . . . 0.0 110.385 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.559 HD12 ' HB1' ' A' ' 4' ' ' ALA . 0.2 OUTLIER -134.47 146.71 50.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.073 179.504 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.8 p -87.4 -179.07 6.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.776 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -54.64 -24.71 22.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.75 -36.13 71.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.252 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -59.46 -52.85 63.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.863 0.363 . . . . 0.0 110.799 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CE2' ' OD1' ' A' ' 55' ' ' ASP . 4.3 m-85 -73.3 -26.71 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.79 -35.49 70.02 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.581 ' O ' HG13 ' A' ' 20' ' ' VAL . 36.4 t80 -62.33 -38.78 90.79 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.912 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.647 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -62.69 -33.58 75.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.271 179.479 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -35.7 72.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.6 -45.27 25.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.452 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 16' ' ' PHE . 2.7 m -57.6 -44.3 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.08 0 CA-C-O 121.023 0.439 . . . . 0.0 110.745 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.758 HD21 HD12 ' A' ' 68' ' ' LEU . 2.7 mt -70.62 -20.41 62.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.058 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -90.04 -18.9 25.09 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.085 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.558 ' SG ' HD11 ' A' ' 116' ' ' ILE . 1.6 m -43.98 162.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.703 0.287 . . . . 0.0 111.221 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HG2' ' HB3' ' A' ' 81' ' ' ASP . 16.8 mmt180 -99.76 9.08 43.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.813 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.27 140.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 111.523 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.899 HG11 ' CE2' ' A' ' 71' ' ' PHE . 28.6 t -126.71 107.27 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.6 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.925 ' CZ ' ' HB2' ' A' ' 35' ' ' ALA . 1.2 mmp_? -142.03 -176.51 4.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.147 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.712 ' HB2' HD11 ' A' ' 86' ' ' ILE . 1.2 t -113.24 140.84 47.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.713 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.61 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -60.31 -45.75 92.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.809 0.337 . . . . 0.0 110.755 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -31.06 71.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.623 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -140.11 63.76 1.47 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.571 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.826 HD12 ' HB3' ' A' ' 27' ' ' ARG . 8.3 tp -76.94 -18.18 58.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.107 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.99 -26.44 60.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.933 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.15 144.3 24.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.208 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.925 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -69.16 177.41 2.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.648 HD22 HE21 ' A' ' 40' ' ' GLN . 2.7 mp -88.55 -66.85 0.88 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.455 HG23 ' HB2' ' A' ' 40' ' ' GLN . 0.1 OUTLIER 176.25 153.32 0.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.642 179.43 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -46.0 -41.88 12.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -71.69 -34.24 69.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.698 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.648 HE21 HD22 ' A' ' 36' ' ' LEU . 10.7 mm100 -68.99 -58.31 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.593 HG12 ' HE ' ' A' ' 45' ' ' ARG . 33.0 t -55.82 -36.59 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 110.835 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.2 95.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.27 -44.75 84.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.283 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.516 ' HA ' HD12 ' A' ' 47' ' ' ILE . 39.9 t80 -67.16 -36.09 81.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.084 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.593 ' HE ' HG12 ' A' ' 41' ' ' VAL . 8.5 mtm180 -63.7 -43.07 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.577 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 2.3 t-20 -57.59 -32.86 67.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 44' ' ' TYR . 61.2 mt -61.34 -60.94 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.7 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.647 ' HB3' HD21 ' A' ' 17' ' ' LEU . 3.0 mt -63.39 -50.05 71.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.686 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 4.0 t30 -57.16 -29.8 63.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.924 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.575 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -69.58 -28.19 65.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.28 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.485 ' O ' HG23 ' A' ' 54' ' ' VAL . 16.9 t -70.52 -33.22 70.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.027 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.909 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -66.78 -56.53 10.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.953 -179.1 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.497 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -53.19 -23.14 7.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -179.002 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 50' ' ' ALA . 3.7 m -95.47 22.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.742 0.306 . . . . 0.0 111.361 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' OD1' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -104.31 137.78 41.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.804 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -59.32 -39.93 84.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.32 89.35 5.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.69 84.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.68 -46.73 89.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.182 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -54.52 41.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 t -56.29 -36.89 69.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -36.72 67.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.684 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.695 ' HG2' HD23 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -68.96 -37.15 78.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.7 0.286 . . . . 0.0 111.163 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.909 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -70.07 -43.41 71.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.029 0.442 . . . . 0.0 110.442 179.578 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.887 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.2 mtt -55.45 -31.65 62.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.094 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.36 -33.79 42.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.245 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -70.99 -30.76 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.108 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.758 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -75.41 -25.15 57.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.554 179.419 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.1 -22.88 30.59 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.37 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.564 ' O ' HG23 ' A' ' 73' ' ' VAL . 21.0 t70 -107.24 17.08 23.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.499 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.899 ' CE2' HG11 ' A' ' 26' ' ' VAL . 3.8 t80 -67.43 138.66 56.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 111.082 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.585 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 59.86 42.19 16.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.6 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 70' ' ' ASP . 57.3 t -107.12 154.8 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.91 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' N ' HG12 ' A' ' 73' ' ' VAL . 4.2 mt-10 -70.6 89.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.31 139.54 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.661 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.27 138.76 54.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 78' ' ' THR . 42.8 t -98.74 158.62 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.553 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.488 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -151.51 158.33 43.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.281 -179.221 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.19 146.47 50.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.076 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.92 -31.05 7.25 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.431 ' HB3' ' HG2' ' A' ' 24' ' ' ARG . 5.4 m-20 -76.02 -158.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -156.62 156.24 33.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.156 0.503 . . . . 0.0 111.928 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.577 HG23 HD21 ' A' ' 101' ' ' LEU . 93.0 t -118.34 127.13 75.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.435 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 84' ' ' VAL . 14.6 p -94.12 114.28 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.886 0.374 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.524 HG11 ' HB2' ' A' ' 29' ' ' ALA . 4.1 t -94.13 114.85 31.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.989 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.712 HD11 ' HB2' ' A' ' 28' ' ' SER . 35.2 pt -55.27 -24.22 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.844 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.61 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 2.7 t70 -93.59 -44.32 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.553 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.36 -168.36 23.82 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.923 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.825 HD23 ' SG ' ' A' ' 117' ' ' CYS . 9.4 tp -178.12 154.9 0.9 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.664 0.269 . . . . 0.0 110.342 179.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -159.82 38.13 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.661 0.267 . . . . 0.0 111.493 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.0 155.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 111.128 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.922 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -57.52 115.29 2.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.619 179.755 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.15 123.64 40.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.002 0.429 . . . . 0.0 111.647 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.81 ' HA ' HG12 ' A' ' 100' ' ' VAL . 12.4 t-80 -58.42 145.49 38.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.897 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -124.44 -26.43 3.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.593 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' ASP . 14.1 pttt 179.68 136.85 0.11 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.669 0.271 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.11 -88.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' LYS . 42.8 m-20 -132.64 -10.34 3.14 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 99' ' ' LEU . 13.3 mt -74.64 119.55 18.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.832 0.349 . . . . 0.0 110.228 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.81 HG12 ' HA ' ' A' ' 94' ' ' HIS . 30.9 m -110.99 -178.63 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 111.571 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.577 HD21 HG23 ' A' ' 83' ' ' VAL . 18.6 mt -123.44 123.44 40.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.132 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.922 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.3 t -105.01 136.78 19.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.32 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.402 ' HD2' HG13 ' A' ' 102' ' ' VAL . 6.3 Cg_endo -48.38 123.66 9.47 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.563 2.175 . . . . 0.0 111.523 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.609 ' HB3' HG22 ' A' ' 116' ' ' ILE . 12.2 tp -122.09 -52.01 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 115' ' ' THR . 25.3 m -156.2 126.93 6.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.963 0.411 . . . . 0.0 112.096 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 94.6 m -118.41 118.65 32.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.698 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.429 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 22.0 mttm -131.6 128.03 38.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.531 HG22 ' HG2' ' A' ' 113' ' ' ARG . 21.5 t -102.87 139.89 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.66 126.1 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.43 -80.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.378 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -155.8 28.51 0.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.71 141.27 24.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.583 ' HB2' ' O ' ' A' ' 87' ' ' ASP . 13.4 mtm180 -85.28 160.48 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 8.2 t -140.77 90.35 2.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.653 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.553 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 89.9 m -96.57 142.83 28.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.082 0.467 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.609 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -124.94 135.26 64.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.17 179.078 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.825 ' SG ' HD23 ' A' ' 89' ' ' LEU . 74.1 m -132.57 135.44 45.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -70.3 142.0 52.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.815 178.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.408 HG22 HD21 ' A' ' 101' ' ' LEU . 2.7 t -91.02 116.6 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.724 0.297 . . . . 0.0 110.354 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.16 150.36 23.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.417 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.28 138.46 43.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.032 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.63 138.79 54.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.889 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.482 ' HA3' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.708 ' N ' HD13 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -122.91 -171.83 2.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.62 0.248 . . . . 0.0 111.127 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -60.23 1.5 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.632 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.72 -25.47 7.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.296 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.506 ' HA ' HD21 ' A' ' 9' ' ' LEU . 66.2 m -87.24 -32.02 19.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mp 62.48 -79.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -176.36 -40.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.401 . . . . 0.0 111.028 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.59 85.37 1.71 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.957 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.506 HD21 ' HA ' ' A' ' 5' ' ' THR . 17.8 mt -58.13 139.14 55.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.016 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 42.0 p -74.3 179.06 4.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -63.82 -25.33 68.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -43.0 85.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -59.1 -50.16 75.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.818 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.419 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 20.1 m-85 -72.79 -27.63 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.866 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.26 -30.02 57.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.125 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.695 ' O ' HG23 ' A' ' 20' ' ' VAL . 44.7 t80 -70.55 -54.05 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.268 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 14' ' ' PHE . 1.9 pp -67.46 -36.53 81.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.639 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -59.77 -39.98 86.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.102 0.477 . . . . 0.0 109.955 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.18 -22.8 51.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.316 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.837 HG13 HG21 ' A' ' 84' ' ' VAL . 38.8 t -66.51 -47.51 83.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.84 0.352 . . . . 0.0 110.106 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.531 HD22 ' C ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -62.47 -19.62 63.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.162 178.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -79.34 -23.56 43.33 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.202 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.577 ' HG ' HD11 ' A' ' 116' ' ' ILE . 1.3 m -45.75 160.36 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.494 ' HB3' HG22 ' A' ' 77' ' ' VAL . 8.4 mpt_? -89.88 2.89 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.862 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -179.1 141.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.853 0.359 . . . . 0.0 111.527 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.4 t -118.63 107.47 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.684 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.657 ' NH1' ' HB2' ' A' ' 35' ' ' ALA . 8.8 mmt-85 -141.23 -175.73 4.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.049 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.704 ' HB2' HD11 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -112.08 145.21 40.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.568 179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.839 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -68.24 -39.31 82.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.963 0.411 . . . . 0.0 110.336 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -28.3 69.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.491 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -156.64 72.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.38 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -76.59 -18.1 58.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.493 -179.493 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.32 12.48 16.04 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.6 140.44 4.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 111.443 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.657 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . . . -85.45 177.52 7.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.552 HD22 ' OE1' ' A' ' 40' ' ' GLN . 3.6 mp -97.4 -67.19 0.86 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 111.072 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.427 HG23 ' HB2' ' A' ' 40' ' ' GLN . 0.6 OUTLIER 173.11 160.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.375 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -47.44 -51.33 20.51 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.282 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -64.42 -34.51 78.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.552 ' OE1' HD22 ' A' ' 36' ' ' LEU . 7.0 mm-40 -67.61 -58.33 4.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.831 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.29 -35.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.652 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.04 -38.82 92.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.72 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -57.16 -48.88 77.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.244 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.653 ' HA ' HD12 ' A' ' 47' ' ' ILE . 8.3 t80 -62.7 -33.57 75.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.169 179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.605 ' HB3' HD21 ' A' ' 68' ' ' LEU . 31.6 mtm180 -66.04 -45.74 80.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.736 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -57.6 -35.19 70.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 44' ' ' TYR . 67.3 mt -58.1 -60.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.632 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 48' ' ' LEU . 5.5 mt -66.3 -38.49 87.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.328 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' HA ' ' HG ' ' A' ' 52' ' ' LEU . 2.9 t30 -58.93 -50.21 74.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.155 179.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 53' ' ' GLN . . . -54.09 -27.6 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.764 179.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -32.5 68.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.053 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.742 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -75.02 -23.48 58.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.196 0.522 . . . . 0.0 110.835 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HB2' ' O ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -44.46 -62.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.261 -179.578 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.34 -23.04 24.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.946 -177.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -47.44 107.34 0.11 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.841 0.353 . . . . 0.0 111.163 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -66.33 -50.25 64.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.986 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.6 99.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.56 72.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.21 -46.63 89.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.06 -42.02 48.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.0 p -58.64 -56.26 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.328 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -52.34 -33.84 44.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.272 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -62.77 -52.71 62.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.634 ' N ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -70.2 -45.51 66.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.449 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.742 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -54.22 -30.49 50.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.97 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.42 -34.98 35.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.024 0.44 . . . . 0.0 110.311 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.531 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -67.04 -30.87 71.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.215 179.313 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' A' ' 45' ' ' ARG . 4.8 tt -76.86 -28.31 55.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.648 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.29 64.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.732 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.5 t0 -108.73 17.06 22.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.883 ' CE2' HG11 ' A' ' 26' ' ' VAL . 23.7 t80 -54.28 148.58 11.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 111.281 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.84 56.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.428 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -107.19 155.69 7.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.055 179.704 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.79 93.79 3.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -121.58 139.65 53.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.76 121.16 20.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.791 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.51 ' CG1' HG21 ' A' ' 119' ' ' VAL . 21.7 t -81.43 154.01 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.854 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.13 164.99 38.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.342 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -63.88 146.97 53.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.079 179.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.91 -31.15 6.79 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.407 ' HB3' ' HD3' ' A' ' 24' ' ' ARG . 10.7 m-20 -83.98 -157.88 0.29 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.92 157.74 35.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.121 0.486 . . . . 0.0 111.77 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.478 ' CG2' HD21 ' A' ' 101' ' ' LEU . 61.9 t -121.0 125.41 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.425 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.837 HG21 HG13 ' A' ' 20' ' ' VAL . 12.9 p -92.58 114.19 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.05 0.452 . . . . 0.0 111.209 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.839 HG11 ' HB2' ' A' ' 29' ' ' ALA . 5.6 t -93.5 115.89 33.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.016 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.704 HD11 ' HB2' ' A' ' 28' ' ' SER . 45.6 pt -58.96 -18.7 13.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.895 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 113' ' ' ARG . 18.4 t0 -97.61 -44.11 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.174 0.511 . . . . 0.0 109.632 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.538 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.69 -176.1 20.37 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.398 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.849 ' O ' HG21 ' A' ' 115' ' ' THR . 2.9 mt -177.97 107.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.755 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 1.6 m-20 -116.65 43.43 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.376 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 154.02 1.01 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.93 0.395 . . . . 0.0 111.463 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.788 ' SD ' HG21 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -59.28 123.05 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.403 179.4 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -136.9 125.78 24.16 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.849 ' HA ' HG12 ' A' ' 100' ' ' VAL . 85.8 t60 -59.84 152.33 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.29 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -129.26 -30.78 2.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.533 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER 178.88 155.71 0.45 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.755 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 44.0 -87.52 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.54 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -147.21 22.57 1.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.849 0.357 . . . . 0.0 110.952 179.411 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.522 HD23 ' CA ' ' A' ' 121' ' ' LYS . 39.5 mt -107.53 129.99 54.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.421 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.849 HG12 ' HA ' ' A' ' 94' ' ' HIS . 27.7 m -114.34 177.95 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.373 0.606 . . . . 0.0 111.861 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.478 HD21 ' CG2' ' A' ' 83' ' ' VAL . 18.4 mt -121.88 123.44 41.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.839 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.448 HG13 ' HD2' ' A' ' 103' ' ' PRO . 30.0 t -109.87 138.49 20.73 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.034 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.448 ' HD2' HG13 ' A' ' 102' ' ' VAL . 5.8 Cg_endo -47.87 123.45 8.51 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.697 2.265 . . . . 0.0 112.009 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.663 HD13 ' OD2' ' A' ' 118' ' ' ASP . 11.0 tp -121.01 -51.61 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.124 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 115' ' ' THR . 1.7 m -151.41 123.44 8.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.999 0.428 . . . . 0.0 111.775 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 95.1 m -119.18 105.52 11.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.689 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.442 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 4.9 ttmt -126.18 138.46 53.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.018 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 112' ' ' SER . 28.4 t -102.15 124.18 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.445 HG12 HG22 ' A' ' 47' ' ' ILE . 22.5 t -119.05 124.67 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 70.36 -65.82 0.76 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.556 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -176.83 40.28 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.644 ' O ' HG13 ' A' ' 108' ' ' VAL . 2.2 m -144.66 150.06 36.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -92.62 110.03 21.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.81 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 21.7 m -110.46 108.57 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.397 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.849 HG21 ' O ' ' A' ' 89' ' ' LEU . 98.4 m -110.59 144.43 39.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.577 HD11 ' HG ' ' A' ' 23' ' ' CYS . 1.0 OUTLIER -121.07 134.6 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.698 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.403 ' HB2' HD22 ' A' ' 101' ' ' LEU . 94.8 m -129.23 141.55 51.1 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -177.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.663 ' OD2' HD13 ' A' ' 104' ' ' LEU . 1.9 p30 -78.93 132.78 36.86 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.408 178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.51 HG21 ' CG1' ' A' ' 77' ' ' VAL . 3.3 t -81.43 113.68 21.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.61 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.46 145.35 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.416 -178.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.522 ' CA ' HD23 ' A' ' 99' ' ' LEU . 2.0 ttmt -74.6 144.25 44.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.95 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -98.31 116.57 30.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.79 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.923 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.845 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.845 HD13 ' C ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -127.06 -80.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.628 0.252 . . . . 0.0 110.51 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.3 p -88.13 -33.57 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.988 0.423 . . . . 0.0 110.244 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.85 -25.35 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.905 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.759 ' HA ' HD21 ' A' ' 9' ' ' LEU . 80.9 m -109.81 -31.21 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 62.25 18.89 10.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.559 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 62.35 15.56 7.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.47 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . 168.11 98.82 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.787 0.327 . . . . 0.0 110.963 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.759 HD21 ' HA ' ' A' ' 5' ' ' THR . 21.0 mt -85.33 139.5 31.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.9 t -68.48 165.61 18.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -56.31 -29.88 61.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.05 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.32 -39.49 87.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.6 -51.24 69.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 68.9 m-85 -70.96 -26.8 63.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -72.86 -37.37 67.4 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.686 ' O ' HG13 ' A' ' 20' ' ' VAL . 74.8 t80 -60.84 -36.58 79.5 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.822 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.866 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -66.0 -36.28 82.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.728 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -37.86 66.37 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.64 -48.12 17.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.372 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 17' ' ' LEU . 3.0 m -61.64 -33.57 57.97 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.149 0 CA-C-O 121.056 0.455 . . . . 0.0 110.525 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.679 HD13 ' HB3' ' A' ' 67' ' ' LYS . 52.4 mt -74.96 -25.0 58.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.516 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -79.4 -27.37 41.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.436 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.585 ' SG ' HD11 ' A' ' 116' ' ' ILE . 1.3 m -47.28 158.85 0.14 Allowed 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.241 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -35.52 8.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.021 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.575 ' HB3' HG13 ' A' ' 83' ' ' VAL . . . -116.36 140.35 49.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.867 HG11 ' CE2' ' A' ' 71' ' ' PHE . 12.2 t -138.67 107.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.21 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.723 ' CB ' HD23 ' A' ' 32' ' ' LEU . 1.1 mmm180 -161.18 143.68 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.001 0.429 . . . . 0.0 111.379 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.402 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -69.67 138.99 53.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.71 179.631 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -52.49 -24.85 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.4 mtt -51.6 -25.78 7.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.265 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.17 68.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.952 0.406 . . . . 0.0 110.894 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.723 HD23 ' CB ' ' A' ' 27' ' ' ARG . 3.6 mt -62.71 -17.76 61.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.583 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.46 12.54 5.43 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.95 153.2 10.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 111.717 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . . . -89.58 176.86 6.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.836 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.63 HD11 HH11 ' A' ' 27' ' ' ARG . 1.8 mp -99.88 -67.59 0.85 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.834 0.349 . . . . 0.0 110.827 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.442 HG23 ' H ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER 170.86 153.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.705 179.225 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -44.69 -39.66 5.29 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.379 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -73.08 -34.31 66.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.798 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.505 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 1.3 mp0 -70.72 -54.27 12.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.183 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.18 -38.33 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.27 -37.02 85.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -57.05 -56.19 24.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.442 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.419 ' CD1' ' O ' ' A' ' 44' ' ' TYR . 2.3 t80 -61.05 -35.15 76.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.045 179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -68.13 -35.46 78.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.723 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -65.79 -36.91 84.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.577 HG22 HG12 ' A' ' 109' ' ' VAL . 66.7 mt -58.3 -57.39 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.754 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.866 ' HB3' HD21 ' A' ' 17' ' ' LEU . 4.1 mt -63.74 -46.08 87.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.717 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.812 ' HB2' HD13 ' A' ' 68' ' ' LEU . 1.2 t30 -57.58 -32.49 67.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.56 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -68.83 -28.0 66.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.361 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -70.09 -33.32 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.992 0.425 . . . . 0.0 110.999 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.925 HD11 HD21 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -63.58 -56.38 16.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.734 -179.245 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.505 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -54.79 -20.63 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.78 -179.383 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.7 m -101.68 22.35 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 0.0 111.255 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 26.3 t0 -95.98 162.2 13.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.907 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -81.28 -31.38 33.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.05 97.58 10.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.73 86.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.049 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.22 -32.49 72.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.5 t -57.8 -49.73 75.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.8 ttt180 -53.33 -33.92 55.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.273 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -68.79 -41.94 78.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.049 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.863 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.22 -44.82 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.911 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.4 mtt -53.79 -32.76 53.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.53 -30.64 57.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.012 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.679 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -67.52 -37.99 83.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.981 179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.925 HD21 HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -75.23 -22.78 57.65 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.836 179.765 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.52 26.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.894 0.378 . . . . 0.0 110.872 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.67 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -113.96 16.84 18.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.984 179.662 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.867 ' CE2' HG11 ' A' ' 26' ' ' VAL . 23.3 t80 -60.81 140.85 57.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.24 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 53.72 64.16 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.381 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' ' 70' ' ' ASP . 3.9 m -107.19 155.75 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.09 95.8 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.794 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -151.43 156.47 40.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -90.06 132.2 35.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.555 HG23 ' CZ ' ' A' ' 95' ' ' PHE . 16.5 t -81.56 160.06 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.48 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -143.06 163.62 32.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.55 -179.207 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.529 ' HB2' HD21 ' A' ' 99' ' ' LEU . . . -61.74 146.16 50.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.143 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.45 -31.12 7.02 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.92 -158.1 0.22 Allowed 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.99 164.19 37.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 0.0 111.383 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.575 HG13 ' HB3' ' A' ' 25' ' ' ALA . 96.4 t -134.27 122.76 41.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.51 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.704 HG13 HG13 ' A' ' 26' ' ' VAL . 8.4 p -96.02 114.14 32.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 111.376 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.631 HG13 ' O ' ' A' ' 27' ' ' ARG . 42.5 t -91.22 115.52 30.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.047 0.451 . . . . 0.0 110.383 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.402 HG13 ' H ' ' A' ' 86' ' ' ILE . 8.8 mt -50.2 -18.38 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.52 ' H ' HG12 ' A' ' 85' ' ' VAL . 2.0 t70 -103.84 -42.76 5.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.258 0.552 . . . . 0.0 109.522 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.539 ' HA2' ' HB ' ' A' ' 115' ' ' THR . . . 136.01 -173.51 21.85 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.656 179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -178.04 106.64 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.976 0.417 . . . . 0.0 111.256 179.43 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.454 ' HA ' ' HB3' ' A' ' 103' ' ' PRO . 91.0 m-20 -113.46 45.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.33 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -169.49 149.43 3.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.315 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.908 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -63.56 114.19 3.78 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.413 179.472 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -122.64 126.73 48.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.783 ' HA ' HG12 ' A' ' 100' ' ' VAL . 8.6 t-80 -61.95 145.86 51.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.964 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CZ ' HG23 ' A' ' 77' ' ' VAL . 75.2 t80 -123.25 -26.64 4.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.466 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.448 ' N ' ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -179.37 142.62 0.18 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.649 0.261 . . . . 0.0 110.939 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 47.94 -90.67 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 96' ' ' LYS . 3.5 m-20 -136.08 6.37 3.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.569 0.223 . . . . 0.0 111.167 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 121' ' ' LYS . 11.5 mt -86.0 119.71 26.6 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.783 HG12 ' HA ' ' A' ' 94' ' ' HIS . 33.7 m -111.88 174.44 2.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.341 0.591 . . . . 0.0 111.822 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.515 HD21 ' CG2' ' A' ' 83' ' ' VAL . 17.3 mt -116.55 123.33 47.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.015 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.908 HG22 ' HG3' ' A' ' 92' ' ' MET . 21.9 t -106.77 136.39 19.43 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.169 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.454 ' HB3' ' HA ' ' A' ' 90' ' ' ASP . 5.2 Cg_endo -47.69 123.65 8.57 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.609 2.206 . . . . 0.0 111.632 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.491 ' HB3' HG23 ' A' ' 116' ' ' ILE . 11.0 tp -121.46 -51.72 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.847 -178.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.542 ' O ' ' HA ' ' A' ' 115' ' ' THR . 4.5 m -151.69 123.7 8.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.931 0.396 . . . . 0.0 111.915 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.699 HG23 ' OG1' ' A' ' 115' ' ' THR . 49.5 m -114.74 111.92 22.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.828 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -134.71 149.67 50.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.669 HG22 ' HG2' ' A' ' 113' ' ' ARG . 16.4 t -111.9 134.3 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.577 HG12 HG22 ' A' ' 47' ' ' ILE . 19.2 t -134.27 122.89 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.77 -62.57 2.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.453 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 176.18 47.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.58 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -163.84 130.15 3.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.669 ' HG2' HG22 ' A' ' 108' ' ' VAL . 2.1 mtt180 -72.76 116.11 12.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 6.7 m -114.86 95.93 5.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.366 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.699 ' OG1' HG23 ' A' ' 106' ' ' THR . 85.0 m -96.96 152.05 19.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.881 0.372 . . . . 0.0 110.697 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.585 HD11 ' SG ' ' A' ' 23' ' ' CYS . 3.1 tt -122.88 141.68 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.875 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.503 ' HB2' HD22 ' A' ' 101' ' ' LEU . 80.7 m -133.09 139.11 46.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.26 136.23 42.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.809 178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.536 HG21 ' CG1' ' A' ' 77' ' ' VAL . 2.5 t -86.3 113.49 24.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.72 0.295 . . . . 0.0 110.283 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.428 ' C ' HD23 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -130.71 145.41 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.993 0.425 . . . . 0.0 111.564 -178.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.531 ' N ' HD23 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -74.57 152.31 39.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.13 -179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.57 145.45 25.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.962 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.71 ' HA3' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.701 ' HA ' HD11 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -122.01 -165.04 1.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.687 0.279 . . . . 0.0 111.04 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -52.86 52.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.028 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.68 -29.44 64.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.71 HG21 ' HA3' ' A' ' 1' ' ' GLY . 99.1 m -74.43 -28.84 61.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.784 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt 61.01 155.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.81 29.11 18.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.95 -41.75 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.701 HD11 ' HA ' ' A' ' 2' ' ' LEU . 0.3 OUTLIER -131.73 147.45 52.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.4 p -88.4 -179.03 6.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.998 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.69 -24.88 9.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -31.23 66.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.746 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.408 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 7.5 t70 -64.77 -40.09 94.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.661 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.807 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.5 m-85 -70.68 -30.06 66.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.394 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -73.31 -30.66 63.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.727 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CE2' ' HB2' ' A' ' 107' ' ' LYS . 1.3 t80 -63.21 -48.4 78.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.202 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.807 HD23 ' HA ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER -62.8 -33.65 75.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.454 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.471 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 13.4 m -57.4 -33.92 68.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.46 -25.8 57.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.293 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.878 HG13 HG21 ' A' ' 84' ' ' VAL . 67.5 t -68.33 -48.73 71.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.96 0.409 . . . . 0.0 110.214 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.865 HD13 ' HB2' ' A' ' 67' ' ' LYS . 3.8 mt -60.86 -25.98 67.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.625 178.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.408 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 2.0 t0 -71.45 -28.49 64.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.165 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.453 ' SG ' HD11 ' A' ' 116' ' ' ILE . 74.2 m -51.25 171.56 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.766 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.734 ' HB2' ' HB ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -111.96 -39.55 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.425 -179.522 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.16 140.17 49.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.988 0.423 . . . . 0.0 111.283 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.7 t -125.67 107.32 17.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.724 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.892 ' HB3' HD23 ' A' ' 32' ' ' LEU . 10.0 mmt-85 -136.93 172.49 12.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.84 144.05 38.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -59.58 -39.13 83.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.717 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.9 ptp -58.46 -26.6 63.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.718 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -157.63 67.52 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.654 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.892 HD23 ' HB3' ' A' ' 27' ' ' ARG . 4.9 mt -60.98 -24.77 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -95.12 12.52 28.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.592 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -164.53 118.76 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 111.491 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.29 177.57 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 5.0 mp -85.63 -67.04 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.838 0.351 . . . . 0.0 111.006 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.25 154.98 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.684 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.25 -42.26 51.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.719 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -75.05 -34.52 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.668 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -62.58 -56.84 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.402 HG11 ' CB ' ' A' ' 72' ' ' ALA . 59.6 t -55.92 -31.23 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.765 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.31 94.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.627 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.06 -53.89 52.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.276 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.513 ' CE2' HG23 ' A' ' 86' ' ' ILE . 21.9 t80 -58.35 -33.79 69.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.163 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.418 ' HG2' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -61.94 -35.18 77.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.382 179.461 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -76.48 -30.22 57.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 44' ' ' TYR . 61.3 mt -56.06 -61.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.051 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.66 ' N ' HD23 ' A' ' 48' ' ' LEU . 1.8 mt -68.54 -41.21 80.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.981 0.42 . . . . 0.0 110.415 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -58.29 -40.36 81.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.604 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 53' ' ' GLN . . . -67.2 -27.45 67.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.093 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -33.29 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.036 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.762 HD22 HD12 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -64.05 -56.48 14.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.99 -179.018 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -49.18 -25.18 2.06 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.205 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -104.34 22.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 111.42 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -85.73 154.25 21.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.587 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -68.75 -56.77 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.16 99.64 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.82 -26.04 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.31 -38.56 71.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.231 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -75.72 -36.87 59.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -55.54 -36.75 67.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.974 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -58.58 -36.78 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.174 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.25 -48.9 31.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.197 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.762 HD12 HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -70.15 -36.77 74.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.814 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.61 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -57.18 -36.74 71.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 -179.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.92 -40.57 39.29 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.865 ' HB2' HD13 ' A' ' 21' ' ' LEU . 5.1 mmmt -63.31 -27.41 69.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.725 178.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.73 ' CD2' HD21 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -73.32 -30.43 63.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.942 179.074 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.62 -20.43 55.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.515 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.756 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -115.03 16.9 17.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.59 -179.522 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.411 ' HB3' ' CG ' ' A' ' 45' ' ' ARG . 26.4 t80 -57.27 137.32 56.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.306 . . . . 0.0 111.074 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 58.1 68.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.756 HG13 ' O ' ' A' ' 70' ' ' ASP . 2.3 m -106.99 155.78 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -82.82 96.77 8.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 24' ' ' ARG . 17.2 pt20 -155.56 139.62 16.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.15 147.24 46.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.076 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.734 ' HB ' ' HB2' ' A' ' 24' ' ' ARG . 1.9 p -131.04 123.81 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -111.72 -158.41 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.695 -179.762 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.558 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -67.7 149.66 49.71 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.07 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.12 -31.5 7.3 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.245 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.564 ' HB2' HG23 ' A' ' 77' ' ' VAL . 58.6 m-20 -91.46 -169.68 2.38 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.407 ' HD3' ' CD2' ' A' ' 104' ' ' LEU . 36.1 mtm180 -140.01 156.68 46.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.073 0.463 . . . . 0.0 111.722 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.525 ' CG2' HD21 ' A' ' 101' ' ' LEU . 60.4 t -122.39 119.5 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.353 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.878 HG21 HG13 ' A' ' 20' ' ' VAL . 7.4 p -92.98 119.64 41.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.872 0.368 . . . . 0.0 111.35 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 89' ' ' LEU . 4.0 t -93.88 116.04 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.807 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.513 HG23 ' CE2' ' A' ' 44' ' ' TYR . 6.9 mt -56.52 -19.96 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.921 -179.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.655 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 7.1 t0 -100.85 -43.43 6.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.429 . . . . 0.0 109.847 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.501 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 136.59 -173.29 22.13 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.4 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.829 ' O ' HG21 ' A' ' 115' ' ' THR . 3.7 mt -177.88 122.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.15 41.78 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.02 158.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.872 ' HG3' HG22 ' A' ' 102' ' ' VAL . 0.0 OUTLIER -60.36 131.87 52.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.582 179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -146.07 129.01 16.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.966 0.412 . . . . 0.0 112.025 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.797 ' HA ' HG12 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -62.72 138.1 58.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.378 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.533 ' CE2' HG13 ' A' ' 77' ' ' VAL . 70.5 t80 -127.43 -2.6 6.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.245 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HD3' ' CD2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -155.33 -167.61 2.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.643 0.258 . . . . 0.0 110.633 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -43.6 12.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.858 0.361 . . . . 0.0 111.067 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -146.08 -15.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.921 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 121' ' ' LYS . 90.8 mt -74.59 129.21 37.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.669 0.271 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.797 HG12 ' HA ' ' A' ' 94' ' ' HIS . 17.1 m -111.0 -176.92 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.213 0.53 . . . . 0.0 111.592 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.525 HD21 ' CG2' ' A' ' 83' ' ' VAL . 93.2 mt -127.88 123.56 35.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.223 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.872 HG22 ' HG3' ' A' ' 92' ' ' MET . 22.6 t -106.46 132.87 20.54 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.005 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.86 123.59 8.71 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.446 2.097 . . . . 0.0 111.676 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.592 ' HB3' HG22 ' A' ' 116' ' ' ILE . 11.0 tp -121.72 -51.77 2.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.663 -179.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.492 ' O ' ' HA ' ' A' ' 115' ' ' THR . 2.9 m -148.54 123.44 9.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.837 0.351 . . . . 0.0 111.603 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.499 HG21 ' NH1' ' A' ' 113' ' ' ARG . 92.8 m -118.6 120.97 39.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.991 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.438 ' HB2' ' CE2' ' A' ' 16' ' ' PHE . 17.3 mttm -156.1 122.15 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.849 HG23 ' C ' ' A' ' 112' ' ' SER . 2.3 p -81.8 135.81 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.734 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.515 HG11 HD22 ' A' ' 48' ' ' LEU . 12.4 t -126.98 114.69 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.912 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.504 ' H ' HD13 ' A' ' 2' ' ' LEU . . . 86.96 -10.2 69.21 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.669 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.57 0.01 6.27 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.571 -0.823 . . . . 0.0 113.071 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.849 ' C ' HG23 ' A' ' 108' ' ' VAL . 19.1 m -125.85 130.71 51.9 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.099 0.476 . . . . 0.0 111.437 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.499 ' NH1' HG21 ' A' ' 106' ' ' THR . 0.8 OUTLIER -57.76 146.79 30.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.494 -179.771 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 6.0 t -140.77 93.62 2.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.445 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.829 HG21 ' O ' ' A' ' 89' ' ' LEU . 92.4 m -96.94 141.11 30.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.192 0.52 . . . . 0.0 111.462 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.592 HG22 ' HB3' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -118.19 134.37 62.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.035 178.431 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 101' ' ' LEU . 63.5 m -130.78 139.63 50.24 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.46 133.95 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.764 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.52 HG21 HG22 ' A' ' 77' ' ' VAL . 11.2 t -81.62 115.41 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.833 0.349 . . . . 0.0 110.625 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.53 148.25 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.235 -179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.613 ' HA ' HD23 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -74.48 147.26 42.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.692 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -118.94 127.07 53.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.92 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.545 HD23 ' N ' ' A' ' 3' ' ' THR . 1.1 tt -59.87 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 119.793 -0.146 . . . . 0.0 110.882 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.545 ' N ' HD23 ' A' ' 2' ' ' LEU . 2.9 t 41.23 67.97 0.48 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.892 0.377 . . . . 0.0 110.228 -179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.41 23.26 12.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.636 ' O ' HG22 ' A' ' 5' ' ' THR . 89.3 m 45.57 38.54 4.02 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.75 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.4 mt -83.66 -54.57 4.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.16 77.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.59 166.63 12.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.474 HD13 ' CG ' ' A' ' 13' ' ' ASP . 54.5 mt -128.07 128.92 45.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.582 HG23 HG21 ' A' ' 5' ' ' THR . 40.0 p -71.52 173.57 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.37 -24.89 61.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -57.71 -36.92 72.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.089 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.474 ' CG ' HD13 ' A' ' 9' ' ' LEU . 13.1 t70 -60.41 -52.18 66.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.748 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 55' ' ' ASP . 51.4 m-85 -70.87 -26.52 63.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.768 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -32.62 70.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 68.1 t80 -64.98 -39.56 93.65 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.903 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -61.11 -39.66 90.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.481 179.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -36.77 65.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.143 0.497 . . . . 0.0 109.892 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.13 -38.47 51.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.312 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.85 HG13 HG21 ' A' ' 84' ' ' VAL . 91.0 t -65.24 -59.32 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.173 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.105 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD13 ' HB2' ' A' ' 67' ' ' LYS . 16.0 mt -57.23 -22.58 42.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.941 178.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.95 -32.6 65.35 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.621 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.583 ' SG ' HG12 ' A' ' 84' ' ' VAL . 8.9 p -44.03 164.19 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.856 0.36 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.844 ' HB3' HG22 ' A' ' 77' ' ' VAL . 1.8 mpt_? -98.09 -26.66 14.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.526 ' HB3' HG21 ' A' ' 77' ' ' VAL . . . -152.8 143.44 22.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.886 HG13 ' HA ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -129.73 137.65 56.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.026 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -151.61 -175.66 5.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.758 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.634 ' CB ' HD11 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -104.6 131.22 52.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.015 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.708 ' HB2' HG11 ' A' ' 85' ' ' VAL . . . -58.34 -43.81 88.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.952 0.406 . . . . 0.0 110.357 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 mtt -53.24 -25.39 14.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.789 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -166.28 73.86 0.17 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.424 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.8 OUTLIER -67.88 -17.91 64.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.479 -179.542 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -86.55 12.45 10.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.602 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.43 132.55 0.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.817 0.341 . . . . 0.0 111.256 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.11 177.5 4.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.002 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.64 HD11 ' CD1' ' A' ' 86' ' ' ILE . 2.7 mp -91.67 -67.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.379 . . . . 0.0 110.997 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER 175.62 154.01 0.16 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.709 179.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 t -45.79 -36.6 5.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.333 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.98 -34.41 61.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.504 ' CB ' ' HB2' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -69.84 -59.06 3.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.996 -179.79 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.51 HG11 ' CB ' ' A' ' 72' ' ' ALA . 34.2 t -56.17 -40.78 66.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -42.84 92.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -57.17 -44.16 83.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.379 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.618 ' HA ' HD12 ' A' ' 47' ' ' ILE . 29.5 t80 -70.59 -34.8 72.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.3 179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.499 ' CD ' HG12 ' A' ' 41' ' ' VAL . 6.9 mtp180 -66.84 -35.28 79.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.725 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.9 -34.09 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 44' ' ' TYR . 41.5 mt -61.45 -60.85 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.753 ' HB3' HD21 ' A' ' 17' ' ' LEU . 3.9 mt -62.65 -49.53 74.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.656 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -54.67 -32.15 58.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.901 ' O ' HG22 ' A' ' 54' ' ' VAL . . . -69.27 -28.31 66.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.282 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.8 t -68.73 -33.37 73.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 111.037 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.681 HD13 ' HB2' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -64.55 -56.45 13.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.727 -179.177 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.495 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -55.99 -33.56 64.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.739 0.304 . . . . 0.0 111.543 -179.268 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.901 HG22 ' O ' ' A' ' 50' ' ' ALA . 10.5 m -94.43 22.28 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.501 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . 35.4 t0 -90.67 161.66 15.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.752 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -79.38 -31.56 42.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.85 100.0 12.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.19 86.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.76 92.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -71.39 -38.32 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.3 t -51.49 -54.5 26.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -33.86 26.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -70.43 -52.22 23.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.681 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.13 -38.09 75.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.837 -179.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.652 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -56.26 -32.16 64.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.106 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.43 -41.46 24.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.039 0.447 . . . . 0.0 109.965 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.718 ' HB2' HD13 ' A' ' 21' ' ' LEU . 5.4 mtmt -64.31 -27.32 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.837 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -73.93 -31.27 62.99 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.989 179.15 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.43 -25.84 38.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.343 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.61 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -105.98 17.15 24.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.422 -179.722 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 29.8 t80 -65.23 129.39 39.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.246 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.886 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . 71.7 39.19 0.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.471 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 70' ' ' ASP . 65.3 t -107.06 146.29 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.861 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -69.41 103.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -126.19 142.87 51.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -63.83 109.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.04 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.844 HG22 ' HB3' ' A' ' 24' ' ' ARG . 22.7 t -95.58 139.15 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -134.33 -160.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.67 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.426 ' N ' ' OG1' ' A' ' 78' ' ' THR . . . -82.81 148.54 27.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.247 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.65 -31.06 7.53 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.448 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -82.6 -166.96 1.43 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.547 ' HD3' HD23 ' A' ' 104' ' ' LEU . 1.8 mtm180 -146.79 155.3 42.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.058 0.456 . . . . 0.0 111.415 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.672 HG23 HD21 ' A' ' 101' ' ' LEU . 94.0 t -112.44 116.23 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.96 179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.85 HG21 HG13 ' A' ' 20' ' ' VAL . 8.5 p -92.27 111.06 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 110.997 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.708 HG11 ' HB2' ' A' ' 29' ' ' ALA . 4.8 t -88.25 136.57 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.057 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.64 ' CD1' HD11 ' A' ' 36' ' ' LEU . 19.7 pt -73.01 -16.9 17.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.714 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.585 ' H ' HG12 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -102.97 -44.59 5.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.973 0.416 . . . . 0.0 110.013 179.204 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.505 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.72 -173.15 21.94 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.237 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.784 ' O ' HG21 ' A' ' 115' ' ' THR . 12.0 tp -177.99 106.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.953 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.69 44.18 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.69 156.65 0.89 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 30.6 ttm -57.87 142.82 44.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.41 ' HB3' HD21 ' A' ' 89' ' ' LEU . . . -155.91 122.6 5.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.496 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -63.6 152.42 38.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.991 0.424 . . . . 0.0 110.798 179.671 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -115.61 -34.74 4.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.584 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' ASP . 2.6 pttp 178.85 143.99 0.13 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.708 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 52.93 -85.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.09 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -138.95 1.69 2.08 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.933 HD22 HG12 ' A' ' 119' ' ' VAL . 12.0 mt -74.51 119.43 18.69 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.582 ' HA ' ' HA ' ' A' ' 94' ' ' HIS . 0.5 OUTLIER -114.23 137.76 46.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.192 0.52 . . . . 0.0 111.496 -179.227 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.672 HD21 HG23 ' A' ' 83' ' ' VAL . 15.8 mt -98.16 123.91 42.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.5 t -110.53 137.11 20.62 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -48.11 123.73 9.22 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.669 2.246 . . . . 0.0 111.96 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.547 HD23 ' HD3' ' A' ' 82' ' ' ARG . 11.7 tp -120.9 -44.32 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.568 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 115' ' ' THR . 54.2 m -160.72 133.4 6.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 111.763 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 95.3 m -124.57 121.29 34.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.779 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 43.2 mttt -140.34 131.02 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 113' ' ' ARG . 22.9 t -93.65 140.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.678 HG11 HD22 ' A' ' 48' ' ' LEU . 21.6 t -142.53 114.74 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.453 ' HA3' HG21 ' A' ' 47' ' ' ILE . . . 70.36 36.03 69.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.507 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.9 28.35 64.97 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.514 ' C ' HG13 ' A' ' 108' ' ' VAL . 3.9 m -140.03 118.73 12.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.536 ' HA ' HG22 ' A' ' 108' ' ' VAL . 37.2 mtm180 -65.2 147.38 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 1.1 t -140.53 97.65 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.784 HG21 ' O ' ' A' ' 89' ' ' LEU . 89.9 m -104.87 140.74 37.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.3 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.502 HG23 ' HA ' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -122.17 142.06 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.797 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.568 ' HB2' HD22 ' A' ' 101' ' ' LEU . 83.6 m -132.42 138.36 47.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.177 -178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -69.22 141.32 54.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.873 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.933 HG12 HD22 ' A' ' 99' ' ' LEU . 2.4 t -89.49 102.83 13.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.104 0.478 . . . . 0.0 110.775 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.505 HG23 HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -122.1 138.44 52.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.693 -179.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.26 135.94 42.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.965 0.412 . . . . 0.0 111.181 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -80.13 157.03 26.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.751 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.792 ' N ' HD13 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -123.3 -84.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.525 0.202 . . . . 0.0 110.467 179.569 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.633 HG22 ' HA2' ' A' ' 110' ' ' GLY . 12.4 p -70.61 -43.89 68.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 110.2 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.686 ' O ' HD21 ' A' ' 9' ' ' LEU . . . -59.34 -24.0 62.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.574 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.568 ' O ' HG22 ' A' ' 5' ' ' THR . 86.7 m -128.03 48.64 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.381 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.674 HD11 ' H ' ' A' ' 110' ' ' GLY . 13.5 mt -49.45 93.07 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.27 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 53.6 38.85 29.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.283 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 66.08 66.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.974 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.726 HD13 ' HB3' ' A' ' 13' ' ' ASP . 4.6 pp -62.97 141.54 58.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.53 173.98 12.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.797 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.76 -26.57 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.426 ' HA ' ' CG ' ' A' ' 15' ' ' GLN . 31.9 p-10 -57.91 -31.84 67.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.726 ' HB3' HD13 ' A' ' 9' ' ' LEU . 8.2 t70 -59.32 -45.72 90.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.101 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.598 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.0 m-85 -64.83 -26.79 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HG2' ' H ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -81.03 -37.15 29.59 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.395 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CD1' ' HD3' ' A' ' 107' ' ' LYS . 21.9 t80 -62.23 -54.14 45.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.047 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.022 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -60.02 -36.41 77.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.142 0.496 . . . . 0.0 110.007 179.42 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.481 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 39.9 t -63.68 -30.75 71.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.42 -26.47 51.64 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.759 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.022 HG22 ' O ' ' A' ' 17' ' ' LEU . 6.1 m -69.7 -30.05 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.17 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.146 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.79 HD13 ' HB2' ' A' ' 67' ' ' LYS . 10.3 mt -70.04 -23.47 63.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -36.32 72.69 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.287 179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.5 m -46.66 169.52 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.004 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.53 -45.24 4.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.559 -179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.17 140.22 49.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.927 0.394 . . . . 0.0 111.282 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.836 HG11 ' CE1' ' A' ' 71' ' ' PHE . 21.9 t -118.56 107.22 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.952 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.808 ' HB3' HD23 ' A' ' 32' ' ' LEU . 1.2 mmp_? -141.52 -178.75 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.524 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.43 ' HB2' HD12 ' A' ' 86' ' ' ILE . 1.6 t -123.46 153.38 40.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.532 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . . . -60.31 -44.29 95.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.1 mmt -56.35 -27.0 54.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.96 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.441 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 8.1 p30 -155.93 71.01 0.72 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' A' ' 27' ' ' ARG . 2.0 mt -67.9 -18.36 64.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.321 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.66 12.65 19.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.39 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HB3' ' HB2' ' A' ' 31' ' ' ASN . . . -149.27 115.67 5.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.831 0.348 . . . . 0.0 111.357 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 27' ' ' ARG . . . -70.87 177.54 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD23 ' NE2' ' A' ' 40' ' ' GLN . 4.1 mp -94.17 -67.0 0.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.816 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 40' ' ' GLN . 0.1 OUTLIER 172.33 160.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.157 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 m -46.46 -50.12 17.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.362 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -34.42 78.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.547 ' NE2' HD23 ' A' ' 36' ' ' LEU . 6.5 mm-40 -67.85 -55.52 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.531 HG11 ' CB ' ' A' ' 72' ' ' ALA . 44.6 t -58.96 -43.46 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.795 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.98 92.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.7 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.437 ' O ' HG13 ' A' ' 47' ' ' ILE . 13.4 mm-40 -57.15 -51.84 67.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.152 179.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.422 ' CE2' HG23 ' A' ' 86' ' ' ILE . 8.9 t80 -61.28 -36.0 78.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.318 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -64.43 -33.71 76.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.801 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.484 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 3.9 m-20 -73.1 -25.76 60.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 43' ' ' GLN . 32.5 mt -64.01 -60.9 2.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 48' ' ' LEU . 1.8 mt -64.1 -47.36 80.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.495 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.425 ' HB2' HD13 ' A' ' 68' ' ' LEU . 1.2 t30 -57.96 -30.79 66.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.645 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.508 ' HA ' ' NE2' ' A' ' 53' ' ' GLN . . . -69.25 -28.0 65.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.292 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 54' ' ' VAL . 32.8 t -70.74 -33.33 70.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.897 HD12 ' HG2' ' A' ' 65' ' ' MET . 0.3 OUTLIER -63.72 -56.47 15.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.695 -179.286 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.508 ' NE2' ' HA ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -53.0 -21.81 4.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.816 -179.277 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 50' ' ' ALA . 4.5 m -101.64 22.21 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.649 0.261 . . . . 0.0 111.208 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -91.34 166.55 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -29.42 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.04 99.23 10.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.03 -46.52 88.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.13 93.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -67.37 -40.44 85.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.9 p -60.41 -56.63 19.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.98 -33.9 26.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.318 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -61.51 -45.25 95.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.652 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.848 ' HB2' HD13 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.17 -36.2 74.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.479 179.639 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.897 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.6 mtt -54.81 -37.22 65.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.115 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.97 57.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.301 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.79 ' HB2' HD13 ' A' ' 21' ' ' LEU . 11.7 mtpp -71.01 -30.97 67.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.285 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.71 ' HA ' HD22 ' A' ' 21' ' ' LEU . 5.7 tt -76.53 -23.85 53.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.868 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.34 25.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.915 0.388 . . . . 0.0 111.148 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -100.19 17.03 22.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.836 ' CE1' HG11 ' A' ' 26' ' ' VAL . 24.1 t80 -70.82 132.88 45.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.868 0.366 . . . . 0.0 111.18 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.531 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . 59.29 55.66 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.526 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 70' ' ' ASP . 55.0 t -107.21 153.66 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.404 ' N ' HG12 ' A' ' 73' ' ' VAL . 12.2 mm-40 -69.35 108.49 3.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -169.49 144.68 3.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.68 141.65 30.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.561 ' CG1' HG21 ' A' ' 119' ' ' VAL . 24.7 t -81.44 154.51 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.545 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.417 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -138.57 165.4 26.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.471 -179.155 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.479 ' HA ' ' HB ' ' A' ' 119' ' ' VAL . . . -62.55 144.11 56.46 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.166 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.39 -31.16 7.34 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.96 -160.42 0.32 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.623 ' HE ' HD23 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -146.84 155.12 42.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.006 0.431 . . . . 0.0 111.595 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.2 t -118.23 118.95 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.257 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 84' ' ' VAL . 4.6 p -92.65 122.98 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 0.0 111.538 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 87' ' ' ASP . 5.2 t -101.54 116.22 44.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.271 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.43 HD12 ' HB2' ' A' ' 28' ' ' SER . 7.1 mt -57.61 -17.96 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.626 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.532 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 4.8 t0 -101.02 -44.21 5.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.127 0.489 . . . . 0.0 109.946 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.497 ' HA2' ' CB ' ' A' ' 115' ' ' THR . . . 135.81 -163.33 25.01 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.138 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.849 HD23 ' SG ' ' A' ' 117' ' ' CYS . 11.9 tp -177.92 106.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.958 0.408 . . . . 0.0 110.976 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.15 35.7 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.62 173.09 2.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.408 ' SD ' HG11 ' A' ' 100' ' ' VAL . 24.2 ttp -84.68 130.91 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -137.74 145.63 42.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -75.35 152.38 38.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.897 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' HB2' HD11 ' A' ' 101' ' ' LEU . 69.9 t80 -126.72 -17.96 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.791 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -151.63 -167.61 2.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.776 0.322 . . . . 0.0 111.046 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 -41.82 6.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.059 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -145.96 -6.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 17.9 mt -74.54 119.74 19.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.787 0.327 . . . . 0.0 110.313 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.52 HG12 HG23 ' A' ' 120' ' ' VAL . 0.5 OUTLIER -110.18 155.35 11.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 95' ' ' PHE . 5.5 mt -116.04 124.03 49.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.905 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 103' ' ' PRO . 36.2 t -109.54 137.6 20.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.89 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 102' ' ' VAL . 6.1 Cg_endo -47.77 123.69 8.74 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.708 2.272 . . . . 0.0 112.12 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.623 HD23 ' HE ' ' A' ' 82' ' ' ARG . 11.7 tp -121.18 -45.16 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.477 ' HB ' HG13 ' A' ' 116' ' ' ILE . 54.7 m -160.88 128.91 4.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.027 0.442 . . . . 0.0 111.721 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 115' ' ' THR . 98.2 m -122.52 118.42 28.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.771 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.442 ' HD3' ' CD1' ' A' ' 16' ' ' PHE . 0.9 OUTLIER -139.71 138.44 35.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.928 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.21 136.93 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.232 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.465 HG11 HD22 ' A' ' 48' ' ' LEU . 21.4 t -142.17 114.98 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.035 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.674 ' H ' HD11 ' A' ' 6' ' ' LEU . . . 67.5 49.7 48.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.427 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 60.42 28.5 67.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.404 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.3 m -142.41 125.41 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.337 . . . . 0.0 111.022 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.63 148.27 48.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.773 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 17.5 t -140.65 101.43 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.497 ' CB ' ' HA2' ' A' ' 88' ' ' GLY . 86.9 m -108.13 141.24 40.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.477 HG13 ' HB ' ' A' ' 105' ' ' THR . 0.0 OUTLIER -122.32 141.97 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.849 ' SG ' HD23 ' A' ' 89' ' ' LEU . 82.2 m -133.6 136.65 45.01 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.985 -179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.15 143.85 57.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.995 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.561 HG21 ' CG1' ' A' ' 77' ' ' VAL . 10.5 t -91.38 104.3 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.963 0.411 . . . . 0.0 110.72 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.52 HG23 HG12 ' A' ' 100' ' ' VAL . 0.9 OUTLIER -128.88 139.68 51.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.906 -179.612 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.44 124.3 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -69.13 101.39 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.913 179.952 . . . . . . . . 0 0 . 1 stop_ save_